diff --git a/CHANGELOG.md b/CHANGELOG.md
index 56d12fc..199b116 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -2,6 +2,14 @@
 
 This follows the guideline on [keep a changelog](https://keepachangelog.com/en/1.1.0/).
 
+## [Unreleased]
+
+### Changed
+
+- Reaction templates updated with the inert `;!$([a3])` qualifier removed (11,848 occurrences across 2,368 templates). `[a3]` means "aromatic *and* isotope 3", which no realistic molecule satisfies
+- The same qualifier removed from 18 SMARTS-RX definitions in `src/smartreact/data/keys.txt` (84 occurrences), keeping the keys consistent with the templates derived from them
+- Key classification and enumeration results are unchanged: verified identical over the 1,000 public case-study building blocks and all 499,500 of their pairs
+
 ## [1.1.0] 2026-07-28
 
 ### Added
diff --git a/src/smartreact/data/keys.txt b/src/smartreact/data/keys.txt
index e3f668f..4a2db0c 100644
--- a/src/smartreact/data/keys.txt
+++ b/src/smartreact/data/keys.txt
@@ -70,21 +70,21 @@ X X_Aliphatic X-Chloride_Nitrile [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*C#N)])]
 X X_Aliphatic X-Bromide_Nitrile [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*C#N)])]
 X X_Aliphatic X-Iodide_Nitrile [I;$([I][*;$([#6]);!$(*=*)]);$([$(*C#N)])]
 X X_Aliphatic X-Triflate_Nitrile [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*C#N)])]
-XF X_Fluoride_Aromatic X-Fluoride_Phe [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F)]
-X X_Aromatic X-Chloride_Phe [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
-X X_Aromatic X-Bromide_Phe [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
-X X_Aromatic X-Iodide_Phe [I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
-X X_Aromatic X-Triflate_Phe [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
-XF X_Fluoride_Heteroaromatic X-Fluoride_Het6 [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F)]
-X X_Heteroaromatic X-Chloride_Het6 [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
-X X_Heteroaromatic X-Bromide_Het6 [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
-X X_Heteroaromatic X-Iodide_Het6 [I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
-X X_Heteroaromatic X-Triflate_Het6 [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
-XF X_Fluoride_Heteroaromatic X-Fluoride_Het5 [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F)]
-X X_Heteroaromatic X-Chloride_Het5 [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
-X X_Heteroaromatic X-Bromide_Het5 [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
-X X_Heteroaromatic X-Iodide_Het5 [I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
-X X_Heteroaromatic X-Triflate_Het5 [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
+XF X_Fluoride_Aromatic X-Fluoride_Phe [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F)]
+X X_Aromatic X-Chloride_Phe [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
+X X_Aromatic X-Bromide_Phe [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
+X X_Aromatic X-Iodide_Phe [I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
+X X_Aromatic X-Triflate_Phe [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
+XF X_Fluoride_Heteroaromatic X-Fluoride_Het6 [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F)]
+X X_Heteroaromatic X-Chloride_Het6 [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
+X X_Heteroaromatic X-Bromide_Het6 [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
+X X_Heteroaromatic X-Iodide_Het6 [I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
+X X_Heteroaromatic X-Triflate_Het6 [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
+XF X_Fluoride_Heteroaromatic X-Fluoride_Het5 [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F)]
+X X_Heteroaromatic X-Chloride_Het5 [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
+X X_Heteroaromatic X-Bromide_Het5 [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
+X X_Heteroaromatic X-Iodide_Het5 [I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
+X X_Heteroaromatic X-Triflate_Het5 [O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
 XF X_Fluoride_Heteroaromatic X-Fluoride_Het6Het5 [F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F)]
 X X_Heteroaromatic X-Chloride_Het6Het5 [Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])])]
 X X_Heteroaromatic X-Bromide_Het6Het5 [Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])])]
@@ -348,9 +348,9 @@ Amine Benzyl_amine_primary Benzylamine_primary [N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]
 Amine Benzyl_amine_primary HeteroBenzylamine_primary [N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)])]
 Amine Amine_Aliphatic Amine_Primary_SaturatedAliphatic [N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)])]
 Amine Amine_Aliphatic Amine_Primary_UnsaturatedAliphatic [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)])]
-Amine Amine_Aromatic Amine_Primary_Phe [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
-Amine Amine_Heteroaromatic Amine_Primary_Het6 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
-Amine Amine_Heteroaromatic Amine_Primary_Het5 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
+Amine Amine_Aromatic Amine_Primary_Phe [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])])]
+Amine Amine_Heteroaromatic Amine_Primary_Het6 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])])]
+Amine Amine_Heteroaromatic Amine_Primary_Het5 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])])]
 Amine Amine_Heteroaromatic Amine_Primary_Het6Het5 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])])]
 Amine Amine_Heteroaromatic Amine_Primary_PheHet5 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]
 Amine Amine_Heteroaromatic Amine_Primary_Het5Het6 [N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])])]
diff --git a/src/smartreact/data/templates.txt b/src/smartreact/data/templates.txt
index 862e262..bb5805d 100644
--- a/src/smartreact/data/templates.txt
+++ b/src/smartreact/data/templates.txt
@@ -13,7 +13,7 @@ amine_sulfonation	11	CCCS(=O)(=O)O.O=S(=O)(O)CCCCNC=CNc1ccccc1>>CCCS(=O)(=O)N(C=
 amine_sulfonation	12	CCCS(=O)(=O)O.O=S(=O)(O)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCS(=O)(=O)N1c2ccccc2CCC(CCCS(=O)(=O)O)Cc2ccccc21	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	13	CCCS(=O)(=O)O.O=S(=O)(O)CCCc1ccc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ccc(CCCS(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	14	CCCS(=O)(=O)O.O=S(=O)(O)CCCc1ccc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ccc(CCCS(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	15	CCCS(=O)(=O)O.Nc1cccc(CCCCS(=O)(=O)O)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Phe
+amine_sulfonation	15	CCCS(=O)(=O)O.Nc1cccc(CCCCS(=O)(=O)O)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Phe
 amine_sulfonation	16	CCCS(=O)(=O)O.Nc1cc2ccc(CCCCS(=O)(=O)O)cc2cc1N>>CCCS(=O)(=O)Nc1cc2ccc(CCCCS(=O)(=O)O)cc2cc1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_PhePhe
 amine_sulfonation	17	CCCS(=O)(=O)O.CC(CCCS(=O)(=O)O)c1ccc(Nc2ccncc2N)cc1>>CCCS(=O)(=O)N(c1ccc(C(C)CCCS(=O)(=O)O)cc1)c1ccncc1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	18	CCCS(=O)(=O)O.Nc1cnccc1Nc1cncc(CCCCS(=O)(=O)O)c1>>CCCS(=O)(=O)N(c1cncc(CCCCS(=O)(=O)O)c1)c1ccncc1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -23,11 +23,11 @@ amine_sulfonation	21	CCCS(=O)(=O)O.O=S(=O)(O)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCS(=O
 amine_sulfonation	22	CCCS(=O)(=O)O.O=S(=O)(O)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCS(=O)(=O)N1c2ccncc2CCC(CCCS(=O)(=O)O)Cc2ccncc21	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	23	CCCS(=O)(=O)O.O=S(=O)(O)CCCc1cnc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ncc(CCCS(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	24	CCCS(=O)(=O)O.O=S(=O)(O)CCCc1cnc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ncc(CCCS(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	25	CCCS(=O)(=O)O.Nc1occ(CCCCS(=O)(=O)O)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het5
+amine_sulfonation	25	CCCS(=O)(=O)O.Nc1occ(CCCCS(=O)(=O)O)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het5
 amine_sulfonation	26	CCCS(=O)(=O)O.Nc1oc2c(CCCCS(=O)(=O)O)occ2c1N>>CCCS(=O)(=O)Nc1oc2c(CCCCS(=O)(=O)O)occ2c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het5Het5
 amine_sulfonation	27	CCCS(=O)(=O)O.Nc1oc2cc(CCCCS(=O)(=O)O)ncc2c1N>>CCCS(=O)(=O)Nc1oc2cc(CCCCS(=O)(=O)O)ncc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het5Het6
 amine_sulfonation	28	CCCS(=O)(=O)O.Nc1oc2ccc(CCCCS(=O)(=O)O)cc2c1N>>CCCS(=O)(=O)Nc1oc2ccc(CCCCS(=O)(=O)O)cc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het5Phe
-amine_sulfonation	29	CCCS(=O)(=O)O.Nc1nccc(CCCCS(=O)(=O)O)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het6
+amine_sulfonation	29	CCCS(=O)(=O)O.Nc1nccc(CCCCS(=O)(=O)O)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het6
 amine_sulfonation	30	CCCS(=O)(=O)O.Nc1c(CCCS(=O)(=O)O)nc2cocc2c1N>>CCCS(=O)(=O)Nc1c(CCCS(=O)(=O)O)nc2cocc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het6Het5
 amine_sulfonation	31	CCCS(=O)(=O)O.Nc1ncc2cc(CCCCS(=O)(=O)O)ncc2c1N>>CCCS(=O)(=O)Nc1ncc2cc(CCCCS(=O)(=O)O)ncc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het6Het6
 amine_sulfonation	32	CCCS(=O)(=O)O.Nc1ncc2ccc(CCCCS(=O)(=O)O)cc2c1N>>CCCS(=O)(=O)Nc1ncc2ccc(CCCCS(=O)(=O)O)cc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aliphatic.Amine_Primary_Het6Phe
@@ -49,7 +49,7 @@ amine_sulfonation	47	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCCNC=CNc1ccccc1>>CCCS(=O)(=O)N(
 amine_sulfonation	48	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCS(=O)(=O)N1c2ccccc2CCC(CCCS(=O)(=O)Br)Cc2ccccc21	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	49	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCc1ccc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ccc(CCCS(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	50	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCc1ccc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ccc(CCCS(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	51	CCCS(=O)(=O)Br.Nc1cccc(CCCCS(=O)(=O)Br)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Phe
+amine_sulfonation	51	CCCS(=O)(=O)Br.Nc1cccc(CCCCS(=O)(=O)Br)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Phe
 amine_sulfonation	52	CCCS(=O)(=O)Br.Nc1cc2ccc(CCCCS(=O)(=O)Br)cc2cc1N>>CCCS(=O)(=O)Nc1cc2ccc(CCCCS(=O)(=O)Br)cc2cc1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_PhePhe
 amine_sulfonation	53	CCCS(=O)(=O)Br.CC(CCCS(=O)(=O)Br)c1ccc(Nc2ccncc2N)cc1>>CCCS(=O)(=O)N(c1ccc(C(C)CCCS(=O)(=O)Br)cc1)c1ccncc1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	54	CCCS(=O)(=O)Br.Nc1cnccc1Nc1cncc(CCCCS(=O)(=O)Br)c1>>CCCS(=O)(=O)N(c1cncc(CCCCS(=O)(=O)Br)c1)c1ccncc1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -59,11 +59,11 @@ amine_sulfonation	57	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCS(
 amine_sulfonation	58	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCS(=O)(=O)N1c2ccncc2CCC(CCCS(=O)(=O)Br)Cc2ccncc21	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	59	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCc1cnc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ncc(CCCS(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	60	CCCS(=O)(=O)Br.O=S(=O)(Br)CCCc1cnc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ncc(CCCS(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	61	CCCS(=O)(=O)Br.Nc1occ(CCCCS(=O)(=O)Br)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het5
+amine_sulfonation	61	CCCS(=O)(=O)Br.Nc1occ(CCCCS(=O)(=O)Br)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het5
 amine_sulfonation	62	CCCS(=O)(=O)Br.Nc1oc2c(CCCCS(=O)(=O)Br)occ2c1N>>CCCS(=O)(=O)Nc1oc2c(CCCCS(=O)(=O)Br)occ2c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het5Het5
 amine_sulfonation	63	CCCS(=O)(=O)Br.Nc1oc2cc(CCCCS(=O)(=O)Br)ncc2c1N>>CCCS(=O)(=O)Nc1oc2cc(CCCCS(=O)(=O)Br)ncc2c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het5Het6
 amine_sulfonation	64	CCCS(=O)(=O)Br.Nc1oc2ccc(CCCCS(=O)(=O)Br)cc2c1N>>CCCS(=O)(=O)Nc1oc2ccc(CCCCS(=O)(=O)Br)cc2c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het5Phe
-amine_sulfonation	65	CCCS(=O)(=O)Br.Nc1nccc(CCCCS(=O)(=O)Br)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het6
+amine_sulfonation	65	CCCS(=O)(=O)Br.Nc1nccc(CCCCS(=O)(=O)Br)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het6
 amine_sulfonation	66	CCCS(=O)(=O)Br.Nc1c(CCCS(=O)(=O)Br)nc2cocc2c1N>>CCCS(=O)(=O)Nc1c(CCCS(=O)(=O)Br)nc2cocc2c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het6Het5
 amine_sulfonation	67	CCCS(=O)(=O)Br.Nc1ncc2cc(CCCCS(=O)(=O)Br)ncc2c1N>>CCCS(=O)(=O)Nc1ncc2cc(CCCCS(=O)(=O)Br)ncc2c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het6Het6
 amine_sulfonation	68	CCCS(=O)(=O)Br.Nc1ncc2ccc(CCCCS(=O)(=O)Br)cc2c1N>>CCCS(=O)(=O)Nc1ncc2ccc(CCCCS(=O)(=O)Br)cc2c1N	[Br;$([Br][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aliphatic.Amine_Primary_Het6Phe
@@ -85,7 +85,7 @@ amine_sulfonation	83	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCCNC=CNc1ccccc1>>CCCS(=O)(=O)N(
 amine_sulfonation	84	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCS(=O)(=O)N1c2ccccc2CCC(CCCS(=O)(=O)Cl)Cc2ccccc21	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	85	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCc1ccc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ccc(CCCS(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	86	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCc1ccc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ccc(CCCS(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	87	CCCS(=O)(=O)Cl.Nc1cccc(CCCCS(=O)(=O)Cl)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Phe
+amine_sulfonation	87	CCCS(=O)(=O)Cl.Nc1cccc(CCCCS(=O)(=O)Cl)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Phe
 amine_sulfonation	88	CCCS(=O)(=O)Cl.Nc1cc2ccc(CCCCS(=O)(=O)Cl)cc2cc1N>>CCCS(=O)(=O)Nc1cc2ccc(CCCCS(=O)(=O)Cl)cc2cc1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_PhePhe
 amine_sulfonation	89	CCCS(=O)(=O)Cl.CC(CCCS(=O)(=O)Cl)c1ccc(Nc2ccncc2N)cc1>>CCCS(=O)(=O)N(c1ccc(C(C)CCCS(=O)(=O)Cl)cc1)c1ccncc1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	90	CCCS(=O)(=O)Cl.Nc1cnccc1Nc1cncc(CCCCS(=O)(=O)Cl)c1>>CCCS(=O)(=O)N(c1cncc(CCCCS(=O)(=O)Cl)c1)c1ccncc1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -95,11 +95,11 @@ amine_sulfonation	93	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCS(
 amine_sulfonation	94	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCS(=O)(=O)N1c2ccncc2CCC(CCCS(=O)(=O)Cl)Cc2ccncc21	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	95	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCc1cnc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ncc(CCCS(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	96	CCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCc1cnc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ncc(CCCS(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	97	CCCS(=O)(=O)Cl.Nc1occ(CCCCS(=O)(=O)Cl)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het5
+amine_sulfonation	97	CCCS(=O)(=O)Cl.Nc1occ(CCCCS(=O)(=O)Cl)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het5
 amine_sulfonation	98	CCCS(=O)(=O)Cl.Nc1oc2c(CCCCS(=O)(=O)Cl)occ2c1N>>CCCS(=O)(=O)Nc1oc2c(CCCCS(=O)(=O)Cl)occ2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het5Het5
 amine_sulfonation	99	CCCS(=O)(=O)Cl.Nc1oc2cc(CCCCS(=O)(=O)Cl)ncc2c1N>>CCCS(=O)(=O)Nc1oc2cc(CCCCS(=O)(=O)Cl)ncc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het5Het6
 amine_sulfonation	100	CCCS(=O)(=O)Cl.Nc1oc2ccc(CCCCS(=O)(=O)Cl)cc2c1N>>CCCS(=O)(=O)Nc1oc2ccc(CCCCS(=O)(=O)Cl)cc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het5Phe
-amine_sulfonation	101	CCCS(=O)(=O)Cl.Nc1nccc(CCCCS(=O)(=O)Cl)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het6
+amine_sulfonation	101	CCCS(=O)(=O)Cl.Nc1nccc(CCCCS(=O)(=O)Cl)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het6
 amine_sulfonation	102	CCCS(=O)(=O)Cl.Nc1c(CCCS(=O)(=O)Cl)nc2cocc2c1N>>CCCS(=O)(=O)Nc1c(CCCS(=O)(=O)Cl)nc2cocc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het6Het5
 amine_sulfonation	103	CCCS(=O)(=O)Cl.Nc1ncc2cc(CCCCS(=O)(=O)Cl)ncc2c1N>>CCCS(=O)(=O)Nc1ncc2cc(CCCCS(=O)(=O)Cl)ncc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het6Het6
 amine_sulfonation	104	CCCS(=O)(=O)Cl.Nc1ncc2ccc(CCCCS(=O)(=O)Cl)cc2c1N>>CCCS(=O)(=O)Nc1ncc2ccc(CCCCS(=O)(=O)Cl)cc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aliphatic.Amine_Primary_Het6Phe
@@ -121,7 +121,7 @@ amine_sulfonation	119	CCCS(=O)(=O)F.O=S(=O)(F)CCCCNC=CNc1ccccc1>>CCCS(=O)(=O)N(C
 amine_sulfonation	120	CCCS(=O)(=O)F.O=S(=O)(F)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCS(=O)(=O)N1c2ccccc2CCC(CCCS(=O)(=O)F)Cc2ccccc21	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	121	CCCS(=O)(=O)F.O=S(=O)(F)CCCc1ccc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ccc(CCCS(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	122	CCCS(=O)(=O)F.O=S(=O)(F)CCCc1ccc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ccc(CCCS(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	123	CCCS(=O)(=O)F.Nc1cccc(CCCCS(=O)(=O)F)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Phe
+amine_sulfonation	123	CCCS(=O)(=O)F.Nc1cccc(CCCCS(=O)(=O)F)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Phe
 amine_sulfonation	124	CCCS(=O)(=O)F.Nc1cc2ccc(CCCCS(=O)(=O)F)cc2cc1N>>CCCS(=O)(=O)Nc1cc2ccc(CCCCS(=O)(=O)F)cc2cc1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_PhePhe
 amine_sulfonation	125	CCCS(=O)(=O)F.CC(CCCS(=O)(=O)F)c1ccc(Nc2ccncc2N)cc1>>CCCS(=O)(=O)N(c1ccc(C(C)CCCS(=O)(=O)F)cc1)c1ccncc1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	126	CCCS(=O)(=O)F.Nc1cnccc1Nc1cncc(CCCCS(=O)(=O)F)c1>>CCCS(=O)(=O)N(c1cncc(CCCCS(=O)(=O)F)c1)c1ccncc1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -131,11 +131,11 @@ amine_sulfonation	129	CCCS(=O)(=O)F.O=S(=O)(F)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCS(=
 amine_sulfonation	130	CCCS(=O)(=O)F.O=S(=O)(F)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCS(=O)(=O)N1c2ccncc2CCC(CCCS(=O)(=O)F)Cc2ccncc21	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	131	CCCS(=O)(=O)F.O=S(=O)(F)CCCc1cnc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ncc(CCCS(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	132	CCCS(=O)(=O)F.O=S(=O)(F)CCCc1cnc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ncc(CCCS(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	133	CCCS(=O)(=O)F.Nc1occ(CCCCS(=O)(=O)F)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het5
+amine_sulfonation	133	CCCS(=O)(=O)F.Nc1occ(CCCCS(=O)(=O)F)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het5
 amine_sulfonation	134	CCCS(=O)(=O)F.Nc1oc2c(CCCCS(=O)(=O)F)occ2c1N>>CCCS(=O)(=O)Nc1oc2c(CCCCS(=O)(=O)F)occ2c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het5Het5
 amine_sulfonation	135	CCCS(=O)(=O)F.Nc1oc2cc(CCCCS(=O)(=O)F)ncc2c1N>>CCCS(=O)(=O)Nc1oc2cc(CCCCS(=O)(=O)F)ncc2c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het5Het6
 amine_sulfonation	136	CCCS(=O)(=O)F.Nc1oc2ccc(CCCCS(=O)(=O)F)cc2c1N>>CCCS(=O)(=O)Nc1oc2ccc(CCCCS(=O)(=O)F)cc2c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het5Phe
-amine_sulfonation	137	CCCS(=O)(=O)F.Nc1nccc(CCCCS(=O)(=O)F)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het6
+amine_sulfonation	137	CCCS(=O)(=O)F.Nc1nccc(CCCCS(=O)(=O)F)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het6
 amine_sulfonation	138	CCCS(=O)(=O)F.Nc1c(CCCS(=O)(=O)F)nc2cocc2c1N>>CCCS(=O)(=O)Nc1c(CCCS(=O)(=O)F)nc2cocc2c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het6Het5
 amine_sulfonation	139	CCCS(=O)(=O)F.Nc1ncc2cc(CCCCS(=O)(=O)F)ncc2c1N>>CCCS(=O)(=O)Nc1ncc2cc(CCCCS(=O)(=O)F)ncc2c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het6Het6
 amine_sulfonation	140	CCCS(=O)(=O)F.Nc1ncc2ccc(CCCCS(=O)(=O)F)cc2c1N>>CCCS(=O)(=O)Nc1ncc2ccc(CCCCS(=O)(=O)F)cc2c1N	[F;$([F][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aliphatic.Amine_Primary_Het6Phe
@@ -157,7 +157,7 @@ amine_sulfonation	155	CCCS(=O)(=O)I.O=S(=O)(I)CCCCNC=CNc1ccccc1>>CCCS(=O)(=O)N(C
 amine_sulfonation	156	CCCS(=O)(=O)I.O=S(=O)(I)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCS(=O)(=O)N1c2ccccc2CCC(CCCS(=O)(=O)I)Cc2ccccc21	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	157	CCCS(=O)(=O)I.O=S(=O)(I)CCCc1ccc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ccc(CCCS(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	158	CCCS(=O)(=O)I.O=S(=O)(I)CCCc1ccc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ccc(CCCS(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	159	CCCS(=O)(=O)I.Nc1cccc(CCCCS(=O)(=O)I)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Phe
+amine_sulfonation	159	CCCS(=O)(=O)I.Nc1cccc(CCCCS(=O)(=O)I)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Phe
 amine_sulfonation	160	CCCS(=O)(=O)I.Nc1cc2ccc(CCCCS(=O)(=O)I)cc2cc1N>>CCCS(=O)(=O)Nc1cc2ccc(CCCCS(=O)(=O)I)cc2cc1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_PhePhe
 amine_sulfonation	161	CCCS(=O)(=O)I.CC(CCCS(=O)(=O)I)c1ccc(Nc2ccncc2N)cc1>>CCCS(=O)(=O)N(c1ccc(C(C)CCCS(=O)(=O)I)cc1)c1ccncc1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	162	CCCS(=O)(=O)I.Nc1cnccc1Nc1cncc(CCCCS(=O)(=O)I)c1>>CCCS(=O)(=O)N(c1cncc(CCCCS(=O)(=O)I)c1)c1ccncc1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -167,11 +167,11 @@ amine_sulfonation	165	CCCS(=O)(=O)I.O=S(=O)(I)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCS(=
 amine_sulfonation	166	CCCS(=O)(=O)I.O=S(=O)(I)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCS(=O)(=O)N1c2ccncc2CCC(CCCS(=O)(=O)I)Cc2ccncc21	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	167	CCCS(=O)(=O)I.O=S(=O)(I)CCCc1cnc2c(c1)NCCC2>>CCCS(=O)(=O)N1CCCc2ncc(CCCS(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	168	CCCS(=O)(=O)I.O=S(=O)(I)CCCc1cnc2c(c1)NC=CC2>>CCCS(=O)(=O)N1C=CCc2ncc(CCCS(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	169	CCCS(=O)(=O)I.Nc1occ(CCCCS(=O)(=O)I)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het5
+amine_sulfonation	169	CCCS(=O)(=O)I.Nc1occ(CCCCS(=O)(=O)I)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het5
 amine_sulfonation	170	CCCS(=O)(=O)I.Nc1oc2c(CCCCS(=O)(=O)I)occ2c1N>>CCCS(=O)(=O)Nc1oc2c(CCCCS(=O)(=O)I)occ2c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het5Het5
 amine_sulfonation	171	CCCS(=O)(=O)I.Nc1oc2cc(CCCCS(=O)(=O)I)ncc2c1N>>CCCS(=O)(=O)Nc1oc2cc(CCCCS(=O)(=O)I)ncc2c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het5Het6
 amine_sulfonation	172	CCCS(=O)(=O)I.Nc1oc2ccc(CCCCS(=O)(=O)I)cc2c1N>>CCCS(=O)(=O)Nc1oc2ccc(CCCCS(=O)(=O)I)cc2c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het5Phe
-amine_sulfonation	173	CCCS(=O)(=O)I.Nc1nccc(CCCCS(=O)(=O)I)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het6
+amine_sulfonation	173	CCCS(=O)(=O)I.Nc1nccc(CCCCS(=O)(=O)I)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het6
 amine_sulfonation	174	CCCS(=O)(=O)I.Nc1c(CCCS(=O)(=O)I)nc2cocc2c1N>>CCCS(=O)(=O)Nc1c(CCCS(=O)(=O)I)nc2cocc2c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het6Het5
 amine_sulfonation	175	CCCS(=O)(=O)I.Nc1ncc2cc(CCCCS(=O)(=O)I)ncc2c1N>>CCCS(=O)(=O)Nc1ncc2cc(CCCCS(=O)(=O)I)ncc2c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het6Het6
 amine_sulfonation	176	CCCS(=O)(=O)I.Nc1ncc2ccc(CCCCS(=O)(=O)I)cc2c1N>>CCCS(=O)(=O)Nc1ncc2ccc(CCCCS(=O)(=O)I)cc2c1N	[I;$([I][S;D4](=O)(=O));$([!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aliphatic.Amine_Primary_Het6Phe
@@ -193,7 +193,7 @@ amine_sulfonation	191	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCCNC=CNc1ccccc1)O
 amine_sulfonation	192	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCC1CCc2ccccc2Nc2ccccc2C1)OS(=O)(=O)C(F)(F)F>>CCCS(=O)(=O)N1c2ccccc2CCC(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	193	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCc1ccc2c(c1)NCCC2)OS(=O)(=O)C(F)(F)F>>CCCS(=O)(=O)N1CCCc2ccc(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	194	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCc1ccc2c(c1)NC=CC2)OS(=O)(=O)C(F)(F)F>>CCCS(=O)(=O)N1C=CCc2ccc(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	195	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Phe
+amine_sulfonation	195	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCS(=O)(=O)Nc1cccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Phe
 amine_sulfonation	196	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N>>CCCS(=O)(=O)Nc1cc2ccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_PhePhe
 amine_sulfonation	197	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.CC(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>CCCS(=O)(=O)N(c1ccc(C(C)CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	198	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1>>CCCS(=O)(=O)N(c1cncc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -203,11 +203,11 @@ amine_sulfonation	201	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCC1CCc2ccncc2Nc2c
 amine_sulfonation	202	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCC1CCc2cnccc2Nc2cnccc2C1)OS(=O)(=O)C(F)(F)F>>CCCS(=O)(=O)N1c2ccncc2CCC(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	203	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCc1cnc2c(c1)NCCC2)OS(=O)(=O)C(F)(F)F>>CCCS(=O)(=O)N1CCCc2ncc(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	204	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(CCCc1cnc2c(c1)NC=CC2)OS(=O)(=O)C(F)(F)F>>CCCS(=O)(=O)N1C=CCc2ncc(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	205	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het5
+amine_sulfonation	205	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCS(=O)(=O)Nc1occ(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het5
 amine_sulfonation	206	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)occ2c1N>>CCCS(=O)(=O)Nc1oc2c(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het5Het5
 amine_sulfonation	207	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCCS(=O)(=O)Nc1oc2cc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het5Het6
 amine_sulfonation	208	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCCS(=O)(=O)Nc1oc2ccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het5Phe
-amine_sulfonation	209	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het6
+amine_sulfonation	209	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCS(=O)(=O)Nc1nccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het6
 amine_sulfonation	210	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1c(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>CCCS(=O)(=O)Nc1c(CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het6Het5
 amine_sulfonation	211	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCCS(=O)(=O)Nc1ncc2cc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het6Het6
 amine_sulfonation	212	CCCS(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCCS(=O)(=O)Nc1ncc2ccc(CCCCS(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(#,=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([!$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aliphatic.Amine_Primary_Het6Phe
@@ -229,7 +229,7 @@ amine_sulfonation	227	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCCNC=CNc1ccccc1>
 amine_sulfonation	228	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCc1ccccc1S(=O)(=O)N1c2ccccc2CCC(CCCc2ccccc2S(=O)(=O)O)Cc2ccccc21	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	229	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCc1ccc2c(c1)NCCC2>>CCCc1ccccc1S(=O)(=O)N1CCCc2ccc(CCCc3ccccc3S(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	230	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCc1ccc2c(c1)NC=CC2>>CCCc1ccccc1S(=O)(=O)N1C=CCc2ccc(CCCc3ccccc3S(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	231	CCCc1ccccc1S(=O)(=O)O.Nc1cccc(CCCCc2ccccc2S(=O)(=O)O)c1N>>CCCc1ccccc1S(=O)(=O)Nc1cccc(CCCCc2ccccc2S(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Phe
+amine_sulfonation	231	CCCc1ccccc1S(=O)(=O)O.Nc1cccc(CCCCc2ccccc2S(=O)(=O)O)c1N>>CCCc1ccccc1S(=O)(=O)Nc1cccc(CCCCc2ccccc2S(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Phe
 amine_sulfonation	232	CCCc1ccccc1S(=O)(=O)O.Nc1cc2ccc(CCCCc3ccccc3S(=O)(=O)O)cc2cc1N>>CCCc1ccccc1S(=O)(=O)Nc1cc2ccc(CCCCc3ccccc3S(=O)(=O)O)cc2cc1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_PhePhe
 amine_sulfonation	233	CCCc1ccccc1S(=O)(=O)O.CC(CCCc1ccccc1S(=O)(=O)O)c1ccc(Nc2ccncc2N)cc1>>CCCc1ccccc1S(=O)(=O)N(c1ccc(C(C)CCCc2ccccc2S(=O)(=O)O)cc1)c1ccncc1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	234	CCCc1ccccc1S(=O)(=O)O.Nc1cnccc1Nc1cncc(CCCCc2ccccc2S(=O)(=O)O)c1>>CCCc1ccccc1S(=O)(=O)N(c1cncc(CCCCc2ccccc2S(=O)(=O)O)c1)c1ccncc1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -239,11 +239,11 @@ amine_sulfonation	237	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCC1CCc2ccncc2Nc2
 amine_sulfonation	238	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCc1ccccc1S(=O)(=O)N1c2ccncc2CCC(CCCc2ccccc2S(=O)(=O)O)Cc2ccncc21	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	239	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCc1cnc2c(c1)NCCC2>>CCCc1ccccc1S(=O)(=O)N1CCCc2ncc(CCCc3ccccc3S(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	240	CCCc1ccccc1S(=O)(=O)O.O=S(=O)(O)c1ccccc1CCCc1cnc2c(c1)NC=CC2>>CCCc1ccccc1S(=O)(=O)N1C=CCc2ncc(CCCc3ccccc3S(=O)(=O)O)cc21	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonic_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	241	CCCc1ccccc1S(=O)(=O)O.Nc1occ(CCCCc2ccccc2S(=O)(=O)O)c1N>>CCCc1ccccc1S(=O)(=O)Nc1occ(CCCCc2ccccc2S(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het5
+amine_sulfonation	241	CCCc1ccccc1S(=O)(=O)O.Nc1occ(CCCCc2ccccc2S(=O)(=O)O)c1N>>CCCc1ccccc1S(=O)(=O)Nc1occ(CCCCc2ccccc2S(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het5
 amine_sulfonation	242	CCCc1ccccc1S(=O)(=O)O.Nc1oc2c(CCCCc3ccccc3S(=O)(=O)O)occ2c1N>>CCCc1ccccc1S(=O)(=O)Nc1oc2c(CCCCc3ccccc3S(=O)(=O)O)occ2c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het5Het5
 amine_sulfonation	243	CCCc1ccccc1S(=O)(=O)O.Nc1oc2cc(CCCCc3ccccc3S(=O)(=O)O)ncc2c1N>>CCCc1ccccc1S(=O)(=O)Nc1oc2cc(CCCCc3ccccc3S(=O)(=O)O)ncc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het5Het6
 amine_sulfonation	244	CCCc1ccccc1S(=O)(=O)O.Nc1oc2ccc(CCCCc3ccccc3S(=O)(=O)O)cc2c1N>>CCCc1ccccc1S(=O)(=O)Nc1oc2ccc(CCCCc3ccccc3S(=O)(=O)O)cc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het5Phe
-amine_sulfonation	245	CCCc1ccccc1S(=O)(=O)O.Nc1nccc(CCCCc2ccccc2S(=O)(=O)O)c1N>>CCCc1ccccc1S(=O)(=O)Nc1nccc(CCCCc2ccccc2S(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het6
+amine_sulfonation	245	CCCc1ccccc1S(=O)(=O)O.Nc1nccc(CCCCc2ccccc2S(=O)(=O)O)c1N>>CCCc1ccccc1S(=O)(=O)Nc1nccc(CCCCc2ccccc2S(=O)(=O)O)c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het6
 amine_sulfonation	246	CCCc1ccccc1S(=O)(=O)O.Nc1c(CCCc2ccccc2S(=O)(=O)O)nc2cocc2c1N>>CCCc1ccccc1S(=O)(=O)Nc1c(CCCc2ccccc2S(=O)(=O)O)nc2cocc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het6Het5
 amine_sulfonation	247	CCCc1ccccc1S(=O)(=O)O.Nc1ncc2cc(CCCCc3ccccc3S(=O)(=O)O)ncc2c1N>>CCCc1ccccc1S(=O)(=O)Nc1ncc2cc(CCCCc3ccccc3S(=O)(=O)O)ncc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het6Het6
 amine_sulfonation	248	CCCc1ccccc1S(=O)(=O)O.Nc1ncc2ccc(CCCCc3ccccc3S(=O)(=O)O)cc2c1N>>CCCc1ccccc1S(=O)(=O)Nc1ncc2ccc(CCCCc3ccccc3S(=O)(=O)O)cc2c1N	[O;$([O;D1][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonic_Aromatic.Amine_Primary_Het6Phe
@@ -265,7 +265,7 @@ amine_sulfonation	263	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCCNC=CNc1ccccc1>
 amine_sulfonation	264	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccccc2CCC(CCc2ccccc2S(=O)(=O)Br)Cc2ccccc21	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	265	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCc1ccc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ccc(CCc3ccccc3S(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	266	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCc1ccc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ccc(CCc3ccccc3S(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	267	CCc1ccccc1S(=O)(=O)Br.Nc1cccc(CCCc2ccccc2S(=O)(=O)Br)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Phe
+amine_sulfonation	267	CCc1ccccc1S(=O)(=O)Br.Nc1cccc(CCCc2ccccc2S(=O)(=O)Br)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Phe
 amine_sulfonation	268	CCc1ccccc1S(=O)(=O)Br.Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)Br)cc2cc1N>>CCc1ccccc1S(=O)(=O)Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)Br)cc2cc1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_PhePhe
 amine_sulfonation	269	CCc1ccccc1S(=O)(=O)Br.CC(CCc1ccccc1S(=O)(=O)Br)c1ccc(Nc2ccncc2N)cc1>>CCc1ccccc1S(=O)(=O)N(c1ccc(C(C)CCc2ccccc2S(=O)(=O)Br)cc1)c1ccncc1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	270	CCc1ccccc1S(=O)(=O)Br.Nc1cnccc1Nc1cncc(CCCc2ccccc2S(=O)(=O)Br)c1>>CCc1ccccc1S(=O)(=O)N(c1cncc(CCCc2ccccc2S(=O)(=O)Br)c1)c1ccncc1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -275,11 +275,11 @@ amine_sulfonation	273	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCC1CCc2ccncc2Nc2
 amine_sulfonation	274	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccncc2CCC(CCc2ccccc2S(=O)(=O)Br)Cc2ccncc21	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	275	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCc1cnc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ncc(CCc3ccccc3S(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	276	CCc1ccccc1S(=O)(=O)Br.O=S(=O)(Br)c1ccccc1CCc1cnc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ncc(CCc3ccccc3S(=O)(=O)Br)cc21	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Bromide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	277	CCc1ccccc1S(=O)(=O)Br.Nc1occ(CCCc2ccccc2S(=O)(=O)Br)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het5
+amine_sulfonation	277	CCc1ccccc1S(=O)(=O)Br.Nc1occ(CCCc2ccccc2S(=O)(=O)Br)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het5
 amine_sulfonation	278	CCc1ccccc1S(=O)(=O)Br.Nc1oc2c(CCCc3ccccc3S(=O)(=O)Br)occ2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2c(CCCc3ccccc3S(=O)(=O)Br)occ2c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het5Het5
 amine_sulfonation	279	CCc1ccccc1S(=O)(=O)Br.Nc1oc2cc(CCCc3ccccc3S(=O)(=O)Br)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2cc(CCCc3ccccc3S(=O)(=O)Br)ncc2c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het5Het6
 amine_sulfonation	280	CCc1ccccc1S(=O)(=O)Br.Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)Br)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)Br)cc2c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het5Phe
-amine_sulfonation	281	CCc1ccccc1S(=O)(=O)Br.Nc1nccc(CCCc2ccccc2S(=O)(=O)Br)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het6
+amine_sulfonation	281	CCc1ccccc1S(=O)(=O)Br.Nc1nccc(CCCc2ccccc2S(=O)(=O)Br)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)Br)c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het6
 amine_sulfonation	282	CCc1ccccc1S(=O)(=O)Br.Nc1c(CCc2ccccc2S(=O)(=O)Br)nc2cocc2c1N>>CCc1ccccc1S(=O)(=O)Nc1c(CCc2ccccc2S(=O)(=O)Br)nc2cocc2c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het6Het5
 amine_sulfonation	283	CCc1ccccc1S(=O)(=O)Br.Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)Br)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)Br)ncc2c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het6Het6
 amine_sulfonation	284	CCc1ccccc1S(=O)(=O)Br.Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)Br)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)Br)cc2c1N	[Br;$([Br][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Bromide_Aromatic.Amine_Primary_Het6Phe
@@ -301,7 +301,7 @@ amine_sulfonation	299	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCCNC=CNc1ccccc1>
 amine_sulfonation	300	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccccc2CCC(CCc2ccccc2S(=O)(=O)Cl)Cc2ccccc21	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	301	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCc1ccc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ccc(CCc3ccccc3S(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	302	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCc1ccc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ccc(CCc3ccccc3S(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	303	CCc1ccccc1S(=O)(=O)Cl.Nc1cccc(CCCc2ccccc2S(=O)(=O)Cl)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Phe
+amine_sulfonation	303	CCc1ccccc1S(=O)(=O)Cl.Nc1cccc(CCCc2ccccc2S(=O)(=O)Cl)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Phe
 amine_sulfonation	304	CCc1ccccc1S(=O)(=O)Cl.Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)Cl)cc2cc1N>>CCc1ccccc1S(=O)(=O)Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)Cl)cc2cc1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_PhePhe
 amine_sulfonation	305	CCc1ccccc1S(=O)(=O)Cl.CC(CCc1ccccc1S(=O)(=O)Cl)c1ccc(Nc2ccncc2N)cc1>>CCc1ccccc1S(=O)(=O)N(c1ccc(C(C)CCc2ccccc2S(=O)(=O)Cl)cc1)c1ccncc1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	306	CCc1ccccc1S(=O)(=O)Cl.Nc1cnccc1Nc1cncc(CCCc2ccccc2S(=O)(=O)Cl)c1>>CCc1ccccc1S(=O)(=O)N(c1cncc(CCCc2ccccc2S(=O)(=O)Cl)c1)c1ccncc1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -311,11 +311,11 @@ amine_sulfonation	309	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCC1CCc2ccncc2Nc2
 amine_sulfonation	310	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccncc2CCC(CCc2ccccc2S(=O)(=O)Cl)Cc2ccncc21	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	311	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCc1cnc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ncc(CCc3ccccc3S(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	312	CCc1ccccc1S(=O)(=O)Cl.O=S(=O)(Cl)c1ccccc1CCc1cnc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ncc(CCc3ccccc3S(=O)(=O)Cl)cc21	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Chloride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	313	CCc1ccccc1S(=O)(=O)Cl.Nc1occ(CCCc2ccccc2S(=O)(=O)Cl)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het5
+amine_sulfonation	313	CCc1ccccc1S(=O)(=O)Cl.Nc1occ(CCCc2ccccc2S(=O)(=O)Cl)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het5
 amine_sulfonation	314	CCc1ccccc1S(=O)(=O)Cl.Nc1oc2c(CCCc3ccccc3S(=O)(=O)Cl)occ2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2c(CCCc3ccccc3S(=O)(=O)Cl)occ2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het5Het5
 amine_sulfonation	315	CCc1ccccc1S(=O)(=O)Cl.Nc1oc2cc(CCCc3ccccc3S(=O)(=O)Cl)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2cc(CCCc3ccccc3S(=O)(=O)Cl)ncc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het5Het6
 amine_sulfonation	316	CCc1ccccc1S(=O)(=O)Cl.Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)Cl)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)Cl)cc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het5Phe
-amine_sulfonation	317	CCc1ccccc1S(=O)(=O)Cl.Nc1nccc(CCCc2ccccc2S(=O)(=O)Cl)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het6
+amine_sulfonation	317	CCc1ccccc1S(=O)(=O)Cl.Nc1nccc(CCCc2ccccc2S(=O)(=O)Cl)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)Cl)c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het6
 amine_sulfonation	318	CCc1ccccc1S(=O)(=O)Cl.Nc1c(CCc2ccccc2S(=O)(=O)Cl)nc2cocc2c1N>>CCc1ccccc1S(=O)(=O)Nc1c(CCc2ccccc2S(=O)(=O)Cl)nc2cocc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het6Het5
 amine_sulfonation	319	CCc1ccccc1S(=O)(=O)Cl.Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)Cl)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)Cl)ncc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het6Het6
 amine_sulfonation	320	CCc1ccccc1S(=O)(=O)Cl.Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)Cl)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)Cl)cc2c1N	[Cl;$([Cl][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Chloride_Aromatic.Amine_Primary_Het6Phe
@@ -337,7 +337,7 @@ amine_sulfonation	335	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCCNC=CNc1ccccc1>>C
 amine_sulfonation	336	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccccc2CCC(CCc2ccccc2S(=O)(=O)F)Cc2ccccc21	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	337	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCc1ccc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ccc(CCc3ccccc3S(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	338	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCc1ccc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ccc(CCc3ccccc3S(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	339	CCc1ccccc1S(=O)(=O)F.Nc1cccc(CCCc2ccccc2S(=O)(=O)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Phe
+amine_sulfonation	339	CCc1ccccc1S(=O)(=O)F.Nc1cccc(CCCc2ccccc2S(=O)(=O)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Phe
 amine_sulfonation	340	CCc1ccccc1S(=O)(=O)F.Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)F)cc2cc1N>>CCc1ccccc1S(=O)(=O)Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)F)cc2cc1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_PhePhe
 amine_sulfonation	341	CCc1ccccc1S(=O)(=O)F.CC(CCc1ccccc1S(=O)(=O)F)c1ccc(Nc2ccncc2N)cc1>>CCc1ccccc1S(=O)(=O)N(c1ccc(C(C)CCc2ccccc2S(=O)(=O)F)cc1)c1ccncc1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	342	CCc1ccccc1S(=O)(=O)F.Nc1cnccc1Nc1cncc(CCCc2ccccc2S(=O)(=O)F)c1>>CCc1ccccc1S(=O)(=O)N(c1cncc(CCCc2ccccc2S(=O)(=O)F)c1)c1ccncc1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -347,11 +347,11 @@ amine_sulfonation	345	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCC1CCc2ccncc2Nc2cc
 amine_sulfonation	346	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccncc2CCC(CCc2ccccc2S(=O)(=O)F)Cc2ccncc21	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	347	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCc1cnc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ncc(CCc3ccccc3S(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	348	CCc1ccccc1S(=O)(=O)F.O=S(=O)(F)c1ccccc1CCc1cnc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ncc(CCc3ccccc3S(=O)(=O)F)cc21	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Fluoride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	349	CCc1ccccc1S(=O)(=O)F.Nc1occ(CCCc2ccccc2S(=O)(=O)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het5
+amine_sulfonation	349	CCc1ccccc1S(=O)(=O)F.Nc1occ(CCCc2ccccc2S(=O)(=O)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het5
 amine_sulfonation	350	CCc1ccccc1S(=O)(=O)F.Nc1oc2c(CCCc3ccccc3S(=O)(=O)F)occ2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2c(CCCc3ccccc3S(=O)(=O)F)occ2c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het5Het5
 amine_sulfonation	351	CCc1ccccc1S(=O)(=O)F.Nc1oc2cc(CCCc3ccccc3S(=O)(=O)F)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2cc(CCCc3ccccc3S(=O)(=O)F)ncc2c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het5Het6
 amine_sulfonation	352	CCc1ccccc1S(=O)(=O)F.Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)F)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)F)cc2c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het5Phe
-amine_sulfonation	353	CCc1ccccc1S(=O)(=O)F.Nc1nccc(CCCc2ccccc2S(=O)(=O)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het6
+amine_sulfonation	353	CCc1ccccc1S(=O)(=O)F.Nc1nccc(CCCc2ccccc2S(=O)(=O)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)F)c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het6
 amine_sulfonation	354	CCc1ccccc1S(=O)(=O)F.Nc1c(CCc2ccccc2S(=O)(=O)F)nc2cocc2c1N>>CCc1ccccc1S(=O)(=O)Nc1c(CCc2ccccc2S(=O)(=O)F)nc2cocc2c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het6Het5
 amine_sulfonation	355	CCc1ccccc1S(=O)(=O)F.Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)F)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)F)ncc2c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het6Het6
 amine_sulfonation	356	CCc1ccccc1S(=O)(=O)F.Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)F)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)F)cc2c1N	[F;$([F][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Fluoride_Aromatic.Amine_Primary_Het6Phe
@@ -373,7 +373,7 @@ amine_sulfonation	371	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCCNC=CNc1ccccc1>>C
 amine_sulfonation	372	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccccc2CCC(CCc2ccccc2S(=O)(=O)I)Cc2ccccc21	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	373	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCc1ccc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ccc(CCc3ccccc3S(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	374	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCc1ccc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ccc(CCc3ccccc3S(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	375	CCc1ccccc1S(=O)(=O)I.Nc1cccc(CCCc2ccccc2S(=O)(=O)I)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Phe
+amine_sulfonation	375	CCc1ccccc1S(=O)(=O)I.Nc1cccc(CCCc2ccccc2S(=O)(=O)I)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Phe
 amine_sulfonation	376	CCc1ccccc1S(=O)(=O)I.Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)I)cc2cc1N>>CCc1ccccc1S(=O)(=O)Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)I)cc2cc1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_PhePhe
 amine_sulfonation	377	CCc1ccccc1S(=O)(=O)I.CC(CCc1ccccc1S(=O)(=O)I)c1ccc(Nc2ccncc2N)cc1>>CCc1ccccc1S(=O)(=O)N(c1ccc(C(C)CCc2ccccc2S(=O)(=O)I)cc1)c1ccncc1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	378	CCc1ccccc1S(=O)(=O)I.Nc1cnccc1Nc1cncc(CCCc2ccccc2S(=O)(=O)I)c1>>CCc1ccccc1S(=O)(=O)N(c1cncc(CCCc2ccccc2S(=O)(=O)I)c1)c1ccncc1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -383,11 +383,11 @@ amine_sulfonation	381	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCC1CCc2ccncc2Nc2cc
 amine_sulfonation	382	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccncc2CCC(CCc2ccccc2S(=O)(=O)I)Cc2ccncc21	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	383	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCc1cnc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ncc(CCc3ccccc3S(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	384	CCc1ccccc1S(=O)(=O)I.O=S(=O)(I)c1ccccc1CCc1cnc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ncc(CCc3ccccc3S(=O)(=O)I)cc21	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Iodide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	385	CCc1ccccc1S(=O)(=O)I.Nc1occ(CCCc2ccccc2S(=O)(=O)I)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het5
+amine_sulfonation	385	CCc1ccccc1S(=O)(=O)I.Nc1occ(CCCc2ccccc2S(=O)(=O)I)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het5
 amine_sulfonation	386	CCc1ccccc1S(=O)(=O)I.Nc1oc2c(CCCc3ccccc3S(=O)(=O)I)occ2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2c(CCCc3ccccc3S(=O)(=O)I)occ2c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het5Het5
 amine_sulfonation	387	CCc1ccccc1S(=O)(=O)I.Nc1oc2cc(CCCc3ccccc3S(=O)(=O)I)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2cc(CCCc3ccccc3S(=O)(=O)I)ncc2c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het5Het6
 amine_sulfonation	388	CCc1ccccc1S(=O)(=O)I.Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)I)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)I)cc2c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het5Phe
-amine_sulfonation	389	CCc1ccccc1S(=O)(=O)I.Nc1nccc(CCCc2ccccc2S(=O)(=O)I)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het6
+amine_sulfonation	389	CCc1ccccc1S(=O)(=O)I.Nc1nccc(CCCc2ccccc2S(=O)(=O)I)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)I)c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het6
 amine_sulfonation	390	CCc1ccccc1S(=O)(=O)I.Nc1c(CCc2ccccc2S(=O)(=O)I)nc2cocc2c1N>>CCc1ccccc1S(=O)(=O)Nc1c(CCc2ccccc2S(=O)(=O)I)nc2cocc2c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het6Het5
 amine_sulfonation	391	CCc1ccccc1S(=O)(=O)I.Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)I)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)I)ncc2c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het6Het6
 amine_sulfonation	392	CCc1ccccc1S(=O)(=O)I.Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)I)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)I)cc2c1N	[I;$([I][S;D4](=O)(=O));$([$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Iodide_Aromatic.Amine_Primary_Het6Phe
@@ -409,7 +409,7 @@ amine_sulfonation	407	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(
 amine_sulfonation	408	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccccc2CCC(CCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_sulfonation	409	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCc1ccc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ccc(CCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_sulfonation	410	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCc1ccc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ccc(CCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_sulfonation	411	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Phe
+amine_sulfonation	411	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1cccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Phe
 amine_sulfonation	412	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N>>CCc1ccccc1S(=O)(=O)Nc1cc2ccc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_PhePhe
 amine_sulfonation	413	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.CC(CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>CCc1ccccc1S(=O)(=O)N(c1ccc(C(C)CCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_sulfonation	414	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1>>CCc1ccccc1S(=O)(=O)N(c1cncc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -419,11 +419,11 @@ amine_sulfonation	417	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(
 amine_sulfonation	418	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1ccccc1S(=O)(=O)N1c2ccncc2CCC(CCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_sulfonation	419	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCc1cnc2c(c1)NCCC2>>CCc1ccccc1S(=O)(=O)N1CCCc2ncc(CCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_sulfonation	420	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCc1cnc2c(c1)NC=CC2>>CCc1ccccc1S(=O)(=O)N1C=CCc2ncc(CCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Sulfonyl-Triflate_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_sulfonation	421	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het5
+amine_sulfonation	421	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1occ(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het5
 amine_sulfonation	422	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)occ2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2c(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het5Het5
 amine_sulfonation	423	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2cc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het5Het6
 amine_sulfonation	424	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1oc2ccc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het5Phe
-amine_sulfonation	425	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het6
+amine_sulfonation	425	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCc1ccccc1S(=O)(=O)Nc1nccc(CCCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het6
 amine_sulfonation	426	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1c(CCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>CCc1ccccc1S(=O)(=O)Nc1c(CCc2ccccc2S(=O)(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het6Het5
 amine_sulfonation	427	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2cc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het6Het6
 amine_sulfonation	428	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCc1ccccc1S(=O)(=O)Nc1ncc2ccc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_Het6Phe
@@ -431,42 +431,42 @@ amine_sulfonation	429	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1c(CCc2ccccc2S(=O)
 amine_sulfonation	430	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2cncc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)c2cc1N>>CCc1ccccc1S(=O)(=O)Nc1cc2cncc(CCCc3ccccc3S(=O)(=O)OS(=O)(=O)C(F)(F)F)c2cc1N	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Amine_Primary_PheHet6
 amine_sulfonation	431	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.NCc1ccccc1CCCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F>>CCc1ccccc1S(=O)(=O)NCc1ccccc1CCCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.Benzylamine_primary
 amine_sulfonation	432	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.NCc1cnccc1CCCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F>>CCc1ccccc1S(=O)(=O)NCc1cnccc1CCCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[*:2][N:3][#6:4]	Sulfonyl-Triflate_Aromatic.HeteroBenzylamine_primary
-B-H	433	Cc1ccccc1Br.NCCNCCCCc1ccccc1Br>>Cc1ccccc1N(CCN)CCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	434	Cc1ccccc1Br.CNC=CNCCCCc1ccccc1Br>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	435	Cc1ccccc1Br.CNC=CNC=CCCc1ccccc1Br>>CNC=CN(C=CCCc1ccccc1Br)c1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	436	Cc1ccccc1Br.Brc1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	437	Cc1ccccc1Br.Brc1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	438	Cc1ccccc1Br.Brc1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Br)C=C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	439	Cc1ccccc1Br.NCCNCCCc1ccccc1Br>>Cc1ccccc1NCCNCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_SaturatedAliphatic
-B-H	440	Cc1ccccc1Br.NC=CNCCCc1ccccc1Br>>Cc1ccccc1NC=CNCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_UnsaturatedAliphatic
-B-H	441	Cc1ccccc1Br.Nc1ccccc1Nc1ccc(CCc2ccccc2Br)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2Br)cc1)c1ccccc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	442	Cc1ccccc1Br.Brc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	443	Cc1ccccc1Br.Brc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	444	Cc1ccccc1Br.Brc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	445	Cc1ccccc1Br.Brc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	446	Cc1ccccc1Br.Brc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	447	Cc1ccccc1Br.Nc1cccc(CCc2ccccc2Br)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Phe
-B-H	448	Cc1ccccc1Br.Nc1cc2ccc(CCc3ccccc3Br)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_PhePhe
-B-H	449	Cc1ccccc1Br.CC(Cc1ccccc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	450	Cc1ccccc1Br.Nc1cnccc1Nc1cncc(CCc2ccccc2Br)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	451	Cc1ccccc1Br.Brc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	452	Cc1ccccc1Br.Brc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	453	Cc1ccccc1Br.Brc1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	454	Cc1ccccc1Br.Brc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	455	Cc1ccccc1Br.Brc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	456	Cc1ccccc1Br.Brc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	457	Cc1ccccc1Br.Nc1occ(CCc2ccccc2Br)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5
-B-H	458	Cc1ccccc1Br.Nc1oc2c(CCc3ccccc3Br)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5Het5
-B-H	459	Cc1ccccc1Br.Nc1oc2cc(CCc3ccccc3Br)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5Het6
-B-H	460	Cc1ccccc1Br.Nc1oc2ccc(CCc3ccccc3Br)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5Phe
-B-H	461	Cc1ccccc1Br.Nc1nccc(CCc2ccccc2Br)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6
-B-H	462	Cc1ccccc1Br.Nc1c(Cc2ccccc2Br)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6Het5
-B-H	463	Cc1ccccc1Br.Nc1ncc2cc(CCc3ccccc3Br)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6Het6
-B-H	464	Cc1ccccc1Br.Nc1ncc2ccc(CCc3ccccc3Br)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6Phe
-B-H	465	Cc1ccccc1Br.Nc1c(Cc2ccccc2Br)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Br)cc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_PheHet5
-B-H	466	Cc1ccccc1Br.Nc1cc2cncc(CCc3ccccc3Br)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3Br)c2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_PheHet6
-B-H	467	Cc1ccccc1Br.NCc1ccccc1CCCc1ccccc1Br>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Benzylamine_primary
-B-H	468	Cc1ccccc1Br.NCc1cnccc1CCCc1ccccc1Br>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.HeteroBenzylamine_primary
+B-H	433	Cc1ccccc1Br.NCCNCCCCc1ccccc1Br>>Cc1ccccc1N(CCN)CCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	434	Cc1ccccc1Br.CNC=CNCCCCc1ccccc1Br>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	435	Cc1ccccc1Br.CNC=CNC=CCCc1ccccc1Br>>CNC=CN(C=CCCc1ccccc1Br)c1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	436	Cc1ccccc1Br.Brc1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	437	Cc1ccccc1Br.Brc1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	438	Cc1ccccc1Br.Brc1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Br)C=C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	439	Cc1ccccc1Br.NCCNCCCc1ccccc1Br>>Cc1ccccc1NCCNCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_SaturatedAliphatic
+B-H	440	Cc1ccccc1Br.NC=CNCCCc1ccccc1Br>>Cc1ccccc1NC=CNCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_UnsaturatedAliphatic
+B-H	441	Cc1ccccc1Br.Nc1ccccc1Nc1ccc(CCc2ccccc2Br)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2Br)cc1)c1ccccc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	442	Cc1ccccc1Br.Brc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	443	Cc1ccccc1Br.Brc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	444	Cc1ccccc1Br.Brc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	445	Cc1ccccc1Br.Brc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	446	Cc1ccccc1Br.Brc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	447	Cc1ccccc1Br.Nc1cccc(CCc2ccccc2Br)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Phe
+B-H	448	Cc1ccccc1Br.Nc1cc2ccc(CCc3ccccc3Br)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_PhePhe
+B-H	449	Cc1ccccc1Br.CC(Cc1ccccc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	450	Cc1ccccc1Br.Nc1cnccc1Nc1cncc(CCc2ccccc2Br)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	451	Cc1ccccc1Br.Brc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	452	Cc1ccccc1Br.Brc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	453	Cc1ccccc1Br.Brc1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	454	Cc1ccccc1Br.Brc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	455	Cc1ccccc1Br.Brc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	456	Cc1ccccc1Br.Brc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	457	Cc1ccccc1Br.Nc1occ(CCc2ccccc2Br)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5
+B-H	458	Cc1ccccc1Br.Nc1oc2c(CCc3ccccc3Br)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5Het5
+B-H	459	Cc1ccccc1Br.Nc1oc2cc(CCc3ccccc3Br)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5Het6
+B-H	460	Cc1ccccc1Br.Nc1oc2ccc(CCc3ccccc3Br)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het5Phe
+B-H	461	Cc1ccccc1Br.Nc1nccc(CCc2ccccc2Br)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6
+B-H	462	Cc1ccccc1Br.Nc1c(Cc2ccccc2Br)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6Het5
+B-H	463	Cc1ccccc1Br.Nc1ncc2cc(CCc3ccccc3Br)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6Het6
+B-H	464	Cc1ccccc1Br.Nc1ncc2ccc(CCc3ccccc3Br)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_Het6Phe
+B-H	465	Cc1ccccc1Br.Nc1c(Cc2ccccc2Br)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Br)cc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_PheHet5
+B-H	466	Cc1ccccc1Br.Nc1cc2cncc(CCc3ccccc3Br)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3Br)c2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Amine_Primary_PheHet6
+B-H	467	Cc1ccccc1Br.NCc1ccccc1CCCc1ccccc1Br>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.Benzylamine_primary
+B-H	468	Cc1ccccc1Br.NCc1cnccc1CCCc1ccccc1Br>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Phe.HeteroBenzylamine_primary
 B-H	469	Cc1c(Br)ccc2ccccc12.NCCNCCCCc1c(Br)ccc2ccccc12>>Cc1c(N(CCN)CCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	470	Cc1c(Br)ccc2ccccc12.CNC=CNCCCCc1c(Br)ccc2ccccc12>>Cc1c(N(C)C=CNCCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	471	Cc1c(Br)ccc2ccccc12.CNC=CNC=CCCc1c(Br)ccc2ccccc12>>CNC=CN(C=CCCc1c(Br)ccc2ccccc12)c1ccc2ccccc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -481,7 +481,7 @@ B-H	479	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Br
 B-H	480	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Br)ccc4ccccc34)Cc3ccccc32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	481	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Br)ccc5ccccc45)cc32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	482	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Br)ccc5ccccc45)cc32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	483	Cc1c(Br)ccc2ccccc12.Nc1cccc(CCc2c(Br)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)ccc4ccccc34)c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Phe
+B-H	483	Cc1c(Br)ccc2ccccc12.Nc1cccc(CCc2c(Br)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)ccc4ccccc34)c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Phe
 B-H	484	Cc1c(Br)ccc2ccccc12.Nc1cc2ccc(CCc3c(Br)ccc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Br)ccc5ccccc45)cc3cc2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_PhePhe
 B-H	485	Cc1c(Br)ccc2ccccc12.CC(Cc1c(Br)ccc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Br)ccc4ccccc34)cc2)c2ccncc2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	486	Cc1c(Br)ccc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Br)ccc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Br)ccc4ccccc34)c2)c2ccncc2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -491,11 +491,11 @@ B-H	489	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3c
 B-H	490	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Br)ccc4ccccc34)Cc3ccncc32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	491	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Br)ccc5ccccc45)cc32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	492	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Br)ccc5ccccc45)cc32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	493	Cc1c(Br)ccc2ccccc12.Nc1occ(CCc2c(Br)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)ccc4ccccc34)c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het5
+B-H	493	Cc1c(Br)ccc2ccccc12.Nc1occ(CCc2c(Br)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)ccc4ccccc34)c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het5
 B-H	494	Cc1c(Br)ccc2ccccc12.Nc1oc2c(CCc3c(Br)ccc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Br)ccc5ccccc45)occ3c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het5Het5
 B-H	495	Cc1c(Br)ccc2ccccc12.Nc1oc2cc(CCc3c(Br)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Br)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het5Het6
 B-H	496	Cc1c(Br)ccc2ccccc12.Nc1oc2ccc(CCc3c(Br)ccc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Br)ccc5ccccc45)cc3c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het5Phe
-B-H	497	Cc1c(Br)ccc2ccccc12.Nc1nccc(CCc2c(Br)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)ccc4ccccc34)c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het6
+B-H	497	Cc1c(Br)ccc2ccccc12.Nc1nccc(CCc2c(Br)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)ccc4ccccc34)c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het6
 B-H	498	Cc1c(Br)ccc2ccccc12.Nc1c(Cc2c(Br)ccc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Br)ccc4ccccc34)nc3cocc3c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het6Het5
 B-H	499	Cc1c(Br)ccc2ccccc12.Nc1ncc2cc(CCc3c(Br)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Br)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het6Het6
 B-H	500	Cc1c(Br)ccc2ccccc12.Nc1ncc2ccc(CCc3c(Br)ccc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Br)ccc5ccccc45)cc3c2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_Het6Phe
@@ -503,42 +503,42 @@ B-H	501	Cc1c(Br)ccc2ccccc12.Nc1c(Cc2c(Br)ccc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(Cc3c
 B-H	502	Cc1c(Br)ccc2ccccc12.Nc1cc2cncc(CCc3c(Br)ccc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(Br)ccc5ccccc45)c3cc2N)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Amine_Primary_PheHet6
 B-H	503	Cc1c(Br)ccc2ccccc12.NCc1ccccc1CCCc1c(Br)ccc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.Benzylamine_primary
 B-H	504	Cc1c(Br)ccc2ccccc12.NCc1cnccc1CCCc1c(Br)ccc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PhePhe.HeteroBenzylamine_primary
-B-H	505	Cc1ccccc1I.NCCNCCCCc1ccccc1I>>Cc1ccccc1N(CCN)CCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	506	Cc1ccccc1I.CNC=CNCCCCc1ccccc1I>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	507	Cc1ccccc1I.CNC=CNC=CCCc1ccccc1I>>CNC=CN(C=CCCc1ccccc1I)c1ccccc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	508	Cc1ccccc1I.Ic1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	509	Cc1ccccc1I.Ic1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	510	Cc1ccccc1I.Ic1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2I)C=C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	511	Cc1ccccc1I.NCCNCCCc1ccccc1I>>Cc1ccccc1NCCNCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_SaturatedAliphatic
-B-H	512	Cc1ccccc1I.NC=CNCCCc1ccccc1I>>Cc1ccccc1NC=CNCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_UnsaturatedAliphatic
-B-H	513	Cc1ccccc1I.Nc1ccccc1Nc1ccc(CCc2ccccc2I)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2I)cc1)c1ccccc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	514	Cc1ccccc1I.Ic1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	515	Cc1ccccc1I.Ic1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	516	Cc1ccccc1I.Ic1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	517	Cc1ccccc1I.Ic1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	518	Cc1ccccc1I.Ic1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	519	Cc1ccccc1I.Nc1cccc(CCc2ccccc2I)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Phe
-B-H	520	Cc1ccccc1I.Nc1cc2ccc(CCc3ccccc3I)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_PhePhe
-B-H	521	Cc1ccccc1I.CC(Cc1ccccc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	522	Cc1ccccc1I.Nc1cnccc1Nc1cncc(CCc2ccccc2I)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	523	Cc1ccccc1I.Ic1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	524	Cc1ccccc1I.Ic1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	525	Cc1ccccc1I.Ic1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	526	Cc1ccccc1I.Ic1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	527	Cc1ccccc1I.Ic1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	528	Cc1ccccc1I.Ic1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	529	Cc1ccccc1I.Nc1occ(CCc2ccccc2I)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5
-B-H	530	Cc1ccccc1I.Nc1oc2c(CCc3ccccc3I)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5Het5
-B-H	531	Cc1ccccc1I.Nc1oc2cc(CCc3ccccc3I)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5Het6
-B-H	532	Cc1ccccc1I.Nc1oc2ccc(CCc3ccccc3I)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5Phe
-B-H	533	Cc1ccccc1I.Nc1nccc(CCc2ccccc2I)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6
-B-H	534	Cc1ccccc1I.Nc1c(Cc2ccccc2I)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6Het5
-B-H	535	Cc1ccccc1I.Nc1ncc2cc(CCc3ccccc3I)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6Het6
-B-H	536	Cc1ccccc1I.Nc1ncc2ccc(CCc3ccccc3I)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6Phe
-B-H	537	Cc1ccccc1I.Nc1c(Cc2ccccc2I)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2I)cc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_PheHet5
-B-H	538	Cc1ccccc1I.Nc1cc2cncc(CCc3ccccc3I)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3I)c2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_PheHet6
-B-H	539	Cc1ccccc1I.NCc1ccccc1CCCc1ccccc1I>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Benzylamine_primary
-B-H	540	Cc1ccccc1I.NCc1cnccc1CCCc1ccccc1I>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.HeteroBenzylamine_primary
+B-H	505	Cc1ccccc1I.NCCNCCCCc1ccccc1I>>Cc1ccccc1N(CCN)CCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	506	Cc1ccccc1I.CNC=CNCCCCc1ccccc1I>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	507	Cc1ccccc1I.CNC=CNC=CCCc1ccccc1I>>CNC=CN(C=CCCc1ccccc1I)c1ccccc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	508	Cc1ccccc1I.Ic1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	509	Cc1ccccc1I.Ic1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	510	Cc1ccccc1I.Ic1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2I)C=C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	511	Cc1ccccc1I.NCCNCCCc1ccccc1I>>Cc1ccccc1NCCNCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_SaturatedAliphatic
+B-H	512	Cc1ccccc1I.NC=CNCCCc1ccccc1I>>Cc1ccccc1NC=CNCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_UnsaturatedAliphatic
+B-H	513	Cc1ccccc1I.Nc1ccccc1Nc1ccc(CCc2ccccc2I)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2I)cc1)c1ccccc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	514	Cc1ccccc1I.Ic1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	515	Cc1ccccc1I.Ic1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	516	Cc1ccccc1I.Ic1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	517	Cc1ccccc1I.Ic1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	518	Cc1ccccc1I.Ic1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	519	Cc1ccccc1I.Nc1cccc(CCc2ccccc2I)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Phe
+B-H	520	Cc1ccccc1I.Nc1cc2ccc(CCc3ccccc3I)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_PhePhe
+B-H	521	Cc1ccccc1I.CC(Cc1ccccc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	522	Cc1ccccc1I.Nc1cnccc1Nc1cncc(CCc2ccccc2I)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	523	Cc1ccccc1I.Ic1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	524	Cc1ccccc1I.Ic1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	525	Cc1ccccc1I.Ic1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	526	Cc1ccccc1I.Ic1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	527	Cc1ccccc1I.Ic1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	528	Cc1ccccc1I.Ic1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	529	Cc1ccccc1I.Nc1occ(CCc2ccccc2I)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5
+B-H	530	Cc1ccccc1I.Nc1oc2c(CCc3ccccc3I)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5Het5
+B-H	531	Cc1ccccc1I.Nc1oc2cc(CCc3ccccc3I)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5Het6
+B-H	532	Cc1ccccc1I.Nc1oc2ccc(CCc3ccccc3I)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het5Phe
+B-H	533	Cc1ccccc1I.Nc1nccc(CCc2ccccc2I)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6
+B-H	534	Cc1ccccc1I.Nc1c(Cc2ccccc2I)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6Het5
+B-H	535	Cc1ccccc1I.Nc1ncc2cc(CCc3ccccc3I)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6Het6
+B-H	536	Cc1ccccc1I.Nc1ncc2ccc(CCc3ccccc3I)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_Het6Phe
+B-H	537	Cc1ccccc1I.Nc1c(Cc2ccccc2I)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2I)cc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_PheHet5
+B-H	538	Cc1ccccc1I.Nc1cc2cncc(CCc3ccccc3I)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3I)c2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Amine_Primary_PheHet6
+B-H	539	Cc1ccccc1I.NCc1ccccc1CCCc1ccccc1I>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.Benzylamine_primary
+B-H	540	Cc1ccccc1I.NCc1cnccc1CCCc1ccccc1I>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Phe.HeteroBenzylamine_primary
 B-H	541	Cc1c(I)ccc2ccccc12.NCCNCCCCc1c(I)ccc2ccccc12>>Cc1c(N(CCN)CCCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	542	Cc1c(I)ccc2ccccc12.CNC=CNCCCCc1c(I)ccc2ccccc12>>Cc1c(N(C)C=CNCCCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	543	Cc1c(I)ccc2ccccc12.CNC=CNC=CCCc1c(I)ccc2ccccc12>>CNC=CN(C=CCCc1c(I)ccc2ccccc12)c1ccc2ccccc2c1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -553,7 +553,7 @@ B-H	551	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(I)cc
 B-H	552	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(I)ccc4ccccc34)Cc3ccccc32)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	553	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(I)ccc5ccccc45)cc32)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	554	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(I)ccc5ccccc45)cc32)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	555	Cc1c(I)ccc2ccccc12.Nc1cccc(CCc2c(I)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)ccc4ccccc34)c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Phe
+B-H	555	Cc1c(I)ccc2ccccc12.Nc1cccc(CCc2c(I)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)ccc4ccccc34)c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Phe
 B-H	556	Cc1c(I)ccc2ccccc12.Nc1cc2ccc(CCc3c(I)ccc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(I)ccc5ccccc45)cc3cc2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_PhePhe
 B-H	557	Cc1c(I)ccc2ccccc12.CC(Cc1c(I)ccc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(I)ccc4ccccc34)cc2)c2ccncc2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	558	Cc1c(I)ccc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(I)ccc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(I)ccc4ccccc34)c2)c2ccncc2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -563,11 +563,11 @@ B-H	561	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cnc
 B-H	562	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(I)ccc4ccccc34)Cc3ccncc32)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	563	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(I)ccc5ccccc45)cc32)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	564	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(I)ccc5ccccc45)cc32)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	565	Cc1c(I)ccc2ccccc12.Nc1occ(CCc2c(I)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(I)ccc4ccccc34)c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het5
+B-H	565	Cc1c(I)ccc2ccccc12.Nc1occ(CCc2c(I)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(I)ccc4ccccc34)c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het5
 B-H	566	Cc1c(I)ccc2ccccc12.Nc1oc2c(CCc3c(I)ccc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(I)ccc5ccccc45)occ3c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het5Het5
 B-H	567	Cc1c(I)ccc2ccccc12.Nc1oc2cc(CCc3c(I)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(I)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het5Het6
 B-H	568	Cc1c(I)ccc2ccccc12.Nc1oc2ccc(CCc3c(I)ccc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(I)ccc5ccccc45)cc3c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het5Phe
-B-H	569	Cc1c(I)ccc2ccccc12.Nc1nccc(CCc2c(I)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)ccc4ccccc34)c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het6
+B-H	569	Cc1c(I)ccc2ccccc12.Nc1nccc(CCc2c(I)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)ccc4ccccc34)c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het6
 B-H	570	Cc1c(I)ccc2ccccc12.Nc1c(Cc2c(I)ccc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)ccc4ccccc34)nc3cocc3c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het6Het5
 B-H	571	Cc1c(I)ccc2ccccc12.Nc1ncc2cc(CCc3c(I)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(I)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het6Het6
 B-H	572	Cc1c(I)ccc2ccccc12.Nc1ncc2ccc(CCc3c(I)ccc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(I)ccc5ccccc45)cc3c2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_Het6Phe
@@ -575,42 +575,42 @@ B-H	573	Cc1c(I)ccc2ccccc12.Nc1c(Cc2c(I)ccc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I
 B-H	574	Cc1c(I)ccc2ccccc12.Nc1cc2cncc(CCc3c(I)ccc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(I)ccc5ccccc45)c3cc2N)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Amine_Primary_PheHet6
 B-H	575	Cc1c(I)ccc2ccccc12.NCc1ccccc1CCCc1c(I)ccc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.Benzylamine_primary
 B-H	576	Cc1c(I)ccc2ccccc12.NCc1cnccc1CCCc1c(I)ccc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PhePhe.HeteroBenzylamine_primary
-B-H	577	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCCNCCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(N(CCN)CCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	578	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CNC=CNCCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(N(C)C=CNCCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	579	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CNC=CNC=CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CNC=CN(C=CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1)c1cccc(C)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	580	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCC2CCCNC2)c1)C(F)(F)F>>Cc1cccc(N2CCCC(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	581	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCC2CC=CNC2)c1)C(F)(F)F>>Cc1cccc(N2C=CCC(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	582	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCC2C=CNC=CC2)c1)C(F)(F)F>>Cc1cccc(N2C=CCC(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)C=C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	583	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCCNCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NCCNCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_SaturatedAliphatic
-B-H	584	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NC=CNCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NC=CNCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_UnsaturatedAliphatic
-B-H	585	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1ccccc1Nc1ccc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)cc1>>Cc1cccc(N(c2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2)c2ccccc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	586	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNCCNc2ccccc2)c1)C(F)(F)F>>Cc1cccc(N(CCNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccccc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	587	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNC=CNc2ccccc2)c1)C(F)(F)F>>Cc1cccc(N(C=CNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccccc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	588	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCc3ccccc3Nc3ccccc3C2)c1)C(F)(F)F>>Cc1cccc(N2c3ccccc3CCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)Cc3ccccc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	589	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)NCCC3)c1)C(F)(F)F>>Cc1cccc(N2CCCc3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	590	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)NC=CC3)c1)C(F)(F)F>>Cc1cccc(N2C=CCc3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	591	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cccc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1N>>Cc1cccc(Nc2cccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Phe
-B-H	592	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cc2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2cc1N>>Cc1cccc(Nc2cc3ccc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc3cc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_PhePhe
-B-H	593	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)c1ccc(Nc2ccncc2N)cc1>>Cc1cccc(N(c2ccc(C(C)Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2)c2ccncc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	594	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cnccc1Nc1cncc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1>>Cc1cccc(N(c2cncc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2)c2ccncc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	595	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNCCNc2ccncc2)c1)C(F)(F)F>>Cc1cccc(N(CCNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccncc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	596	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNC=CNc2ccncc2)c1)C(F)(F)F>>Cc1cccc(N(C=CNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccncc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	597	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCc3ccncc3Nc3ccccc3C2)c1)C(F)(F)F>>Cc1cccc(N2c3cnccc3CCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)Cc3ccccc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	598	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCc3cnccc3Nc3cnccc3C2)c1)C(F)(F)F>>Cc1cccc(N2c3ccncc3CCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)Cc3ccncc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	599	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnc3c(c2)NCCC3)c1)C(F)(F)F>>Cc1cccc(N2CCCc3ncc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	600	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnc3c(c2)NC=CC3)c1)C(F)(F)F>>Cc1cccc(N2C=CCc3ncc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	601	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1occ(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1N>>Cc1cccc(Nc2occ(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5
-B-H	602	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1oc2c(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)occ2c1N>>Cc1cccc(Nc2oc3c(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)occ3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5Het5
-B-H	603	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1oc2cc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)ncc2c1N>>Cc1cccc(Nc2oc3cc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)ncc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5Het6
-B-H	604	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1oc2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2c1N>>Cc1cccc(Nc2oc3ccc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5Phe
-B-H	605	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1nccc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1N>>Cc1cccc(Nc2nccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6
-B-H	606	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1c(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)nc2cocc2c1N>>Cc1cccc(Nc2c(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)nc3cocc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6Het5
-B-H	607	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1ncc2cc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)ncc2c1N>>Cc1cccc(Nc2ncc3cc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)ncc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6Het6
-B-H	608	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1ncc2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2c1N>>Cc1cccc(Nc2ncc3ccc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6Phe
-B-H	609	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1c(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)cc2cocc2c1N>>Cc1cccc(Nc2c(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc3cocc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_PheHet5
-B-H	610	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cc2cncc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2cc1N>>Cc1cccc(Nc2cc3cncc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)c3cc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_PheHet6
-B-H	611	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCc1ccccc1CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NCc2ccccc2CCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Benzylamine_primary
-B-H	612	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCc1cnccc1CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NCc2cnccc2CCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.HeteroBenzylamine_primary
+B-H	577	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCCNCCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(N(CCN)CCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	578	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CNC=CNCCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(N(C)C=CNCCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	579	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CNC=CNC=CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CNC=CN(C=CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1)c1cccc(C)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	580	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCC2CCCNC2)c1)C(F)(F)F>>Cc1cccc(N2CCCC(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	581	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCC2CC=CNC2)c1)C(F)(F)F>>Cc1cccc(N2C=CCC(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	582	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCC2C=CNC=CC2)c1)C(F)(F)F>>Cc1cccc(N2C=CCC(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)C=C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	583	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCCNCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NCCNCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_SaturatedAliphatic
+B-H	584	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NC=CNCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NC=CNCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_UnsaturatedAliphatic
+B-H	585	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1ccccc1Nc1ccc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)cc1>>Cc1cccc(N(c2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2)c2ccccc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	586	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNCCNc2ccccc2)c1)C(F)(F)F>>Cc1cccc(N(CCNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccccc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	587	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNC=CNc2ccccc2)c1)C(F)(F)F>>Cc1cccc(N(C=CNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccccc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	588	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCc3ccccc3Nc3ccccc3C2)c1)C(F)(F)F>>Cc1cccc(N2c3ccccc3CCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)Cc3ccccc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	589	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)NCCC3)c1)C(F)(F)F>>Cc1cccc(N2CCCc3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	590	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)NC=CC3)c1)C(F)(F)F>>Cc1cccc(N2C=CCc3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	591	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cccc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1N>>Cc1cccc(Nc2cccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Phe
+B-H	592	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cc2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2cc1N>>Cc1cccc(Nc2cc3ccc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc3cc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_PhePhe
+B-H	593	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)c1ccc(Nc2ccncc2N)cc1>>Cc1cccc(N(c2ccc(C(C)Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2)c2ccncc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	594	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cnccc1Nc1cncc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1>>Cc1cccc(N(c2cncc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2)c2ccncc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	595	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNCCNc2ccncc2)c1)C(F)(F)F>>Cc1cccc(N(CCNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccncc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	596	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCNC=CNc2ccncc2)c1)C(F)(F)F>>Cc1cccc(N(C=CNCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccncc2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	597	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCc3ccncc3Nc3ccccc3C2)c1)C(F)(F)F>>Cc1cccc(N2c3cnccc3CCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)Cc3ccccc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	598	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCc3cnccc3Nc3cnccc3C2)c1)C(F)(F)F>>Cc1cccc(N2c3ccncc3CCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)Cc3ccncc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	599	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnc3c(c2)NCCC3)c1)C(F)(F)F>>Cc1cccc(N2CCCc3ncc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	600	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnc3c(c2)NC=CC3)c1)C(F)(F)F>>Cc1cccc(N2C=CCc3ncc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	601	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1occ(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1N>>Cc1cccc(Nc2occ(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5
+B-H	602	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1oc2c(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)occ2c1N>>Cc1cccc(Nc2oc3c(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)occ3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5Het5
+B-H	603	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1oc2cc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)ncc2c1N>>Cc1cccc(Nc2oc3cc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)ncc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5Het6
+B-H	604	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1oc2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2c1N>>Cc1cccc(Nc2oc3ccc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het5Phe
+B-H	605	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1nccc(CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1N>>Cc1cccc(Nc2nccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6
+B-H	606	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1c(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)nc2cocc2c1N>>Cc1cccc(Nc2c(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)nc3cocc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6Het5
+B-H	607	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1ncc2cc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)ncc2c1N>>Cc1cccc(Nc2ncc3cc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)ncc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6Het6
+B-H	608	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1ncc2ccc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2c1N>>Cc1cccc(Nc2ncc3ccc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_Het6Phe
+B-H	609	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1c(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)cc2cocc2c1N>>Cc1cccc(Nc2c(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)cc3cocc3c2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_PheHet5
+B-H	610	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.Nc1cc2cncc(CCc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2cc1N>>Cc1cccc(Nc2cc3cncc(CCc4cccc(OS(=O)(=O)C(F)(F)F)c4)c3cc2N)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Amine_Primary_PheHet6
+B-H	611	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCc1ccccc1CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NCc2ccccc2CCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.Benzylamine_primary
+B-H	612	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.NCc1cnccc1CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(NCc2cnccc2CCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Phe.HeteroBenzylamine_primary
 B-H	613	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.NCCNCCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(N(CCN)CCCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	614	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CNC=CNCCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(N(C)C=CNCCCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	615	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CNC=CNC=CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>CNC=CN(C=CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)c1ccc2ccccc2c1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -625,7 +625,7 @@ B-H	623	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCNC=CNc1cccc
 B-H	624	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)Cc3ccccc32)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	625	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc32)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	626	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc32)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	627	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Phe
+B-H	627	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Phe
 B-H	628	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc3cc2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_PhePhe
 B-H	629	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)cc2)c2ccncc2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	630	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2)c2ccncc2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -635,11 +635,11 @@ B-H	633	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CC1CCc2ccncc2
 B-H	634	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)Cc3ccncc32)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	635	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc32)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	636	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc32)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	637	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het5
+B-H	637	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het5
 B-H	638	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)occ3c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het5Het5
 B-H	639	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het5Het6
 B-H	640	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc3c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het5Phe
-B-H	641	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het6
+B-H	641	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het6
 B-H	642	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)nc3cocc3c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het6Het5
 B-H	643	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het6Het6
 B-H	644	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)cc3c2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_Het6Phe
@@ -647,42 +647,42 @@ B-H	645	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccc
 B-H	646	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.Nc1cc2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccccc45)c3cc2N)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Amine_Primary_PheHet6
 B-H	647	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.NCc1ccccc1CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.Benzylamine_primary
 B-H	648	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.NCc1cnccc1CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PhePhe.HeteroBenzylamine_primary
-B-H	649	Cc1cocc1Br.NCCNCCCCc1cocc1Br>>Cc1cocc1N(CCN)CCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	650	Cc1cocc1Br.CNC=CNCCCCc1cocc1Br>>Cc1cocc1N(C)C=CNCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	651	Cc1cocc1Br.CNC=CNC=CCCc1cocc1Br>>CNC=CN(C=CCCc1cocc1Br)c1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	652	Cc1cocc1Br.Brc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	653	Cc1cocc1Br.Brc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	654	Cc1cocc1Br.Brc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2Br)C=C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	655	Cc1cocc1Br.NCCNCCCc1cocc1Br>>Cc1cocc1NCCNCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_SaturatedAliphatic
-B-H	656	Cc1cocc1Br.NC=CNCCCc1cocc1Br>>Cc1cocc1NC=CNCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_UnsaturatedAliphatic
-B-H	657	Cc1cocc1Br.Nc1ccccc1Nc1ccc(CCc2cocc2Br)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2Br)cc1)c1ccccc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	658	Cc1cocc1Br.Brc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	659	Cc1cocc1Br.Brc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	660	Cc1cocc1Br.Brc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	661	Cc1cocc1Br.Brc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	662	Cc1cocc1Br.Brc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	663	Cc1cocc1Br.Nc1cccc(CCc2cocc2Br)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Phe
-B-H	664	Cc1cocc1Br.Nc1cc2ccc(CCc3cocc3Br)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_PhePhe
-B-H	665	Cc1cocc1Br.CC(Cc1cocc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	666	Cc1cocc1Br.Nc1cnccc1Nc1cncc(CCc2cocc2Br)c1>>Cc1cocc1N(c1cncc(CCc2cocc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	667	Cc1cocc1Br.Brc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	668	Cc1cocc1Br.Brc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	669	Cc1cocc1Br.Brc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	670	Cc1cocc1Br.Brc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	671	Cc1cocc1Br.Brc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	672	Cc1cocc1Br.Brc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	673	Cc1cocc1Br.Nc1occ(CCc2cocc2Br)c1N>>Cc1cocc1Nc1occ(CCc2cocc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5
-B-H	674	Cc1cocc1Br.Nc1oc2c(CCc3cocc3Br)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5Het5
-B-H	675	Cc1cocc1Br.Nc1oc2cc(CCc3cocc3Br)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5Het6
-B-H	676	Cc1cocc1Br.Nc1oc2ccc(CCc3cocc3Br)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5Phe
-B-H	677	Cc1cocc1Br.Nc1nccc(CCc2cocc2Br)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6
-B-H	678	Cc1cocc1Br.Nc1c(Cc2cocc2Br)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6Het5
-B-H	679	Cc1cocc1Br.Nc1ncc2cc(CCc3cocc3Br)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6Het6
-B-H	680	Cc1cocc1Br.Nc1ncc2ccc(CCc3cocc3Br)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6Phe
-B-H	681	Cc1cocc1Br.Nc1c(Cc2cocc2Br)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Br)cc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_PheHet5
-B-H	682	Cc1cocc1Br.Nc1cc2cncc(CCc3cocc3Br)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3Br)c2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_PheHet6
-B-H	683	Cc1cocc1Br.NCc1ccccc1CCCc1cocc1Br>>Cc1cocc1NCc1ccccc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Benzylamine_primary
-B-H	684	Cc1cocc1Br.NCc1cnccc1CCCc1cocc1Br>>Cc1cocc1NCc1cnccc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.HeteroBenzylamine_primary
+B-H	649	Cc1cocc1Br.NCCNCCCCc1cocc1Br>>Cc1cocc1N(CCN)CCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	650	Cc1cocc1Br.CNC=CNCCCCc1cocc1Br>>Cc1cocc1N(C)C=CNCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	651	Cc1cocc1Br.CNC=CNC=CCCc1cocc1Br>>CNC=CN(C=CCCc1cocc1Br)c1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	652	Cc1cocc1Br.Brc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	653	Cc1cocc1Br.Brc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	654	Cc1cocc1Br.Brc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2Br)C=C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	655	Cc1cocc1Br.NCCNCCCc1cocc1Br>>Cc1cocc1NCCNCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_SaturatedAliphatic
+B-H	656	Cc1cocc1Br.NC=CNCCCc1cocc1Br>>Cc1cocc1NC=CNCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_UnsaturatedAliphatic
+B-H	657	Cc1cocc1Br.Nc1ccccc1Nc1ccc(CCc2cocc2Br)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2Br)cc1)c1ccccc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	658	Cc1cocc1Br.Brc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	659	Cc1cocc1Br.Brc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	660	Cc1cocc1Br.Brc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	661	Cc1cocc1Br.Brc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	662	Cc1cocc1Br.Brc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	663	Cc1cocc1Br.Nc1cccc(CCc2cocc2Br)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Phe
+B-H	664	Cc1cocc1Br.Nc1cc2ccc(CCc3cocc3Br)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_PhePhe
+B-H	665	Cc1cocc1Br.CC(Cc1cocc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	666	Cc1cocc1Br.Nc1cnccc1Nc1cncc(CCc2cocc2Br)c1>>Cc1cocc1N(c1cncc(CCc2cocc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	667	Cc1cocc1Br.Brc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	668	Cc1cocc1Br.Brc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	669	Cc1cocc1Br.Brc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	670	Cc1cocc1Br.Brc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	671	Cc1cocc1Br.Brc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	672	Cc1cocc1Br.Brc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	673	Cc1cocc1Br.Nc1occ(CCc2cocc2Br)c1N>>Cc1cocc1Nc1occ(CCc2cocc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5
+B-H	674	Cc1cocc1Br.Nc1oc2c(CCc3cocc3Br)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5Het5
+B-H	675	Cc1cocc1Br.Nc1oc2cc(CCc3cocc3Br)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5Het6
+B-H	676	Cc1cocc1Br.Nc1oc2ccc(CCc3cocc3Br)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het5Phe
+B-H	677	Cc1cocc1Br.Nc1nccc(CCc2cocc2Br)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6
+B-H	678	Cc1cocc1Br.Nc1c(Cc2cocc2Br)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6Het5
+B-H	679	Cc1cocc1Br.Nc1ncc2cc(CCc3cocc3Br)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6Het6
+B-H	680	Cc1cocc1Br.Nc1ncc2ccc(CCc3cocc3Br)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_Het6Phe
+B-H	681	Cc1cocc1Br.Nc1c(Cc2cocc2Br)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Br)cc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_PheHet5
+B-H	682	Cc1cocc1Br.Nc1cc2cncc(CCc3cocc3Br)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3Br)c2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Amine_Primary_PheHet6
+B-H	683	Cc1cocc1Br.NCc1ccccc1CCCc1cocc1Br>>Cc1cocc1NCc1ccccc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.Benzylamine_primary
+B-H	684	Cc1cocc1Br.NCc1cnccc1CCCc1cocc1Br>>Cc1cocc1NCc1cnccc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5.HeteroBenzylamine_primary
 B-H	685	Cc1c(Br)oc2cocc12.NCCNCCCCc1c(Br)oc2cocc12>>Cc1c(N(CCN)CCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	686	Cc1c(Br)oc2cocc12.CNC=CNCCCCc1c(Br)oc2cocc12>>Cc1c(N(C)C=CNCCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	687	Cc1c(Br)oc2cocc12.CNC=CNC=CCCc1c(Br)oc2cocc12>>CNC=CN(C=CCCc1c(Br)oc2cocc12)c1oc2cocc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -697,7 +697,7 @@ B-H	695	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Br)oc3
 B-H	696	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Br)oc4cocc34)Cc3ccccc32)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	697	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Br)oc5cocc45)cc32)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	698	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Br)oc5cocc45)cc32)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	699	Cc1c(Br)oc2cocc12.Nc1cccc(CCc2c(Br)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)oc4cocc34)c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Phe
+B-H	699	Cc1c(Br)oc2cocc12.Nc1cccc(CCc2c(Br)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)oc4cocc34)c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Phe
 B-H	700	Cc1c(Br)oc2cocc12.Nc1cc2ccc(CCc3c(Br)oc4cocc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Br)oc5cocc45)cc3cc2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_PhePhe
 B-H	701	Cc1c(Br)oc2cocc12.CC(Cc1c(Br)oc2cocc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Br)oc4cocc34)cc2)c2ccncc2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	702	Cc1c(Br)oc2cocc12.Nc1cnccc1Nc1cncc(CCc2c(Br)oc3cocc23)c1>>Cc1c(N(c2cncc(CCc3c(Br)oc4cocc34)c2)c2ccncc2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -707,11 +707,11 @@ B-H	705	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cnccc
 B-H	706	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Br)oc4cocc34)Cc3ccncc32)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	707	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Br)oc5cocc45)cc32)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	708	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Br)oc5cocc45)cc32)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	709	Cc1c(Br)oc2cocc12.Nc1occ(CCc2c(Br)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)oc4cocc34)c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het5
+B-H	709	Cc1c(Br)oc2cocc12.Nc1occ(CCc2c(Br)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)oc4cocc34)c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het5
 B-H	710	Cc1c(Br)oc2cocc12.Nc1oc2c(CCc3c(Br)oc4cocc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Br)oc5cocc45)occ3c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het5Het5
 B-H	711	Cc1c(Br)oc2cocc12.Nc1oc2cc(CCc3c(Br)oc4cocc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Br)oc5cocc45)ncc3c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het5Het6
 B-H	712	Cc1c(Br)oc2cocc12.Nc1oc2ccc(CCc3c(Br)oc4cocc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Br)oc5cocc45)cc3c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het5Phe
-B-H	713	Cc1c(Br)oc2cocc12.Nc1nccc(CCc2c(Br)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)oc4cocc34)c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het6
+B-H	713	Cc1c(Br)oc2cocc12.Nc1nccc(CCc2c(Br)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)oc4cocc34)c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het6
 B-H	714	Cc1c(Br)oc2cocc12.Nc1c(Cc2c(Br)oc3cocc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Br)oc4cocc34)nc3cocc3c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het6Het5
 B-H	715	Cc1c(Br)oc2cocc12.Nc1ncc2cc(CCc3c(Br)oc4cocc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Br)oc5cocc45)ncc3c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het6Het6
 B-H	716	Cc1c(Br)oc2cocc12.Nc1ncc2ccc(CCc3c(Br)oc4cocc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Br)oc5cocc45)cc3c2N)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het5.Amine_Primary_Het6Phe
@@ -733,7 +733,7 @@ B-H	731	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Br)o
 B-H	732	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Br)oc4ccncc34)Cc3ccccc32)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	733	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Br)oc5ccncc45)cc32)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	734	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Br)oc5ccncc45)cc32)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	735	Cc1c(Br)oc2ccncc12.Nc1cccc(CCc2c(Br)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)oc4ccncc34)c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Phe
+B-H	735	Cc1c(Br)oc2ccncc12.Nc1cccc(CCc2c(Br)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)oc4ccncc34)c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Phe
 B-H	736	Cc1c(Br)oc2ccncc12.Nc1cc2ccc(CCc3c(Br)oc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Br)oc5ccncc45)cc3cc2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_PhePhe
 B-H	737	Cc1c(Br)oc2ccncc12.CC(Cc1c(Br)oc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Br)oc4ccncc34)cc2)c2ccncc2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	738	Cc1c(Br)oc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(Br)oc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(Br)oc4ccncc34)c2)c2ccncc2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -743,11 +743,11 @@ B-H	741	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cnc
 B-H	742	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Br)oc4ccncc34)Cc3ccncc32)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	743	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Br)oc5ccncc45)cc32)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	744	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Br)oc5ccncc45)cc32)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	745	Cc1c(Br)oc2ccncc12.Nc1occ(CCc2c(Br)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)oc4ccncc34)c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het5
+B-H	745	Cc1c(Br)oc2ccncc12.Nc1occ(CCc2c(Br)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)oc4ccncc34)c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het5
 B-H	746	Cc1c(Br)oc2ccncc12.Nc1oc2c(CCc3c(Br)oc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Br)oc5ccncc45)occ3c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het5Het5
 B-H	747	Cc1c(Br)oc2ccncc12.Nc1oc2cc(CCc3c(Br)oc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Br)oc5ccncc45)ncc3c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het5Het6
 B-H	748	Cc1c(Br)oc2ccncc12.Nc1oc2ccc(CCc3c(Br)oc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Br)oc5ccncc45)cc3c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het5Phe
-B-H	749	Cc1c(Br)oc2ccncc12.Nc1nccc(CCc2c(Br)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)oc4ccncc34)c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het6
+B-H	749	Cc1c(Br)oc2ccncc12.Nc1nccc(CCc2c(Br)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)oc4ccncc34)c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het6
 B-H	750	Cc1c(Br)oc2ccncc12.Nc1c(Cc2c(Br)oc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Br)oc4ccncc34)nc3cocc3c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het6Het5
 B-H	751	Cc1c(Br)oc2ccncc12.Nc1ncc2cc(CCc3c(Br)oc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Br)oc5ccncc45)ncc3c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het6Het6
 B-H	752	Cc1c(Br)oc2ccncc12.Nc1ncc2ccc(CCc3c(Br)oc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Br)oc5ccncc45)cc3c2N)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Het6.Amine_Primary_Het6Phe
@@ -769,7 +769,7 @@ B-H	767	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Br)o
 B-H	768	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Br)oc4ccccc34)Cc3ccccc32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	769	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Br)oc5ccccc45)cc32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	770	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Br)oc5ccccc45)cc32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	771	Cc1c(Br)oc2ccccc12.Nc1cccc(CCc2c(Br)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)oc4ccccc34)c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Phe
+B-H	771	Cc1c(Br)oc2ccccc12.Nc1cccc(CCc2c(Br)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)oc4ccccc34)c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Phe
 B-H	772	Cc1c(Br)oc2ccccc12.Nc1cc2ccc(CCc3c(Br)oc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Br)oc5ccccc45)cc3cc2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_PhePhe
 B-H	773	Cc1c(Br)oc2ccccc12.CC(Cc1c(Br)oc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Br)oc4ccccc34)cc2)c2ccncc2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	774	Cc1c(Br)oc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Br)oc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Br)oc4ccccc34)c2)c2ccncc2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -779,11 +779,11 @@ B-H	777	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cnc
 B-H	778	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Br)oc4ccccc34)Cc3ccncc32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	779	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Br)oc5ccccc45)cc32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	780	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Br)oc5ccccc45)cc32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	781	Cc1c(Br)oc2ccccc12.Nc1occ(CCc2c(Br)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)oc4ccccc34)c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het5
+B-H	781	Cc1c(Br)oc2ccccc12.Nc1occ(CCc2c(Br)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)oc4ccccc34)c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het5
 B-H	782	Cc1c(Br)oc2ccccc12.Nc1oc2c(CCc3c(Br)oc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Br)oc5ccccc45)occ3c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het5Het5
 B-H	783	Cc1c(Br)oc2ccccc12.Nc1oc2cc(CCc3c(Br)oc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Br)oc5ccccc45)ncc3c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het5Het6
 B-H	784	Cc1c(Br)oc2ccccc12.Nc1oc2ccc(CCc3c(Br)oc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Br)oc5ccccc45)cc3c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het5Phe
-B-H	785	Cc1c(Br)oc2ccccc12.Nc1nccc(CCc2c(Br)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)oc4ccccc34)c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het6
+B-H	785	Cc1c(Br)oc2ccccc12.Nc1nccc(CCc2c(Br)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)oc4ccccc34)c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het6
 B-H	786	Cc1c(Br)oc2ccccc12.Nc1c(Cc2c(Br)oc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Br)oc4ccccc34)nc3cocc3c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het6Het5
 B-H	787	Cc1c(Br)oc2ccccc12.Nc1ncc2cc(CCc3c(Br)oc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Br)oc5ccccc45)ncc3c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het6Het6
 B-H	788	Cc1c(Br)oc2ccccc12.Nc1ncc2ccc(CCc3c(Br)oc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Br)oc5ccccc45)cc3c2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_Het6Phe
@@ -791,42 +791,42 @@ B-H	789	Cc1c(Br)oc2ccccc12.Nc1c(Cc2c(Br)oc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(Cc3c(B
 B-H	790	Cc1c(Br)oc2ccccc12.Nc1cc2cncc(CCc3c(Br)oc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(Br)oc5ccccc45)c3cc2N)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Amine_Primary_PheHet6
 B-H	791	Cc1c(Br)oc2ccccc12.NCc1ccccc1CCCc1c(Br)oc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.Benzylamine_primary
 B-H	792	Cc1c(Br)oc2ccccc12.NCc1cnccc1CCCc1c(Br)oc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het5Phe.HeteroBenzylamine_primary
-B-H	793	Cc1cnccc1Br.NCCNCCCCc1cnccc1Br>>Cc1cnccc1N(CCN)CCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	794	Cc1cnccc1Br.CNC=CNCCCCc1cnccc1Br>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	795	Cc1cnccc1Br.CNC=CNC=CCCc1cnccc1Br>>CNC=CN(C=CCCc1cnccc1Br)c1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	796	Cc1cnccc1Br.Brc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	797	Cc1cnccc1Br.Brc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	798	Cc1cnccc1Br.Brc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Br)C=C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	799	Cc1cnccc1Br.NCCNCCCc1cnccc1Br>>Cc1cnccc1NCCNCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_SaturatedAliphatic
-B-H	800	Cc1cnccc1Br.NC=CNCCCc1cnccc1Br>>Cc1cnccc1NC=CNCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_UnsaturatedAliphatic
-B-H	801	Cc1cnccc1Br.Nc1ccccc1Nc1ccc(CCc2cnccc2Br)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2Br)cc1)c1ccccc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	802	Cc1cnccc1Br.Brc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	803	Cc1cnccc1Br.Brc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	804	Cc1cnccc1Br.Brc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	805	Cc1cnccc1Br.Brc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	806	Cc1cnccc1Br.Brc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	807	Cc1cnccc1Br.Nc1cccc(CCc2cnccc2Br)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Phe
-B-H	808	Cc1cnccc1Br.Nc1cc2ccc(CCc3cnccc3Br)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_PhePhe
-B-H	809	Cc1cnccc1Br.CC(Cc1cnccc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	810	Cc1cnccc1Br.Nc1cnccc1Nc1cncc(CCc2cnccc2Br)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	811	Cc1cnccc1Br.Brc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	812	Cc1cnccc1Br.Brc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	813	Cc1cnccc1Br.Brc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	814	Cc1cnccc1Br.Brc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	815	Cc1cnccc1Br.Brc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	816	Cc1cnccc1Br.Brc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	817	Cc1cnccc1Br.Nc1occ(CCc2cnccc2Br)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5
-B-H	818	Cc1cnccc1Br.Nc1oc2c(CCc3cnccc3Br)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5Het5
-B-H	819	Cc1cnccc1Br.Nc1oc2cc(CCc3cnccc3Br)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5Het6
-B-H	820	Cc1cnccc1Br.Nc1oc2ccc(CCc3cnccc3Br)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5Phe
-B-H	821	Cc1cnccc1Br.Nc1nccc(CCc2cnccc2Br)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6
-B-H	822	Cc1cnccc1Br.Nc1c(Cc2cnccc2Br)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6Het5
-B-H	823	Cc1cnccc1Br.Nc1ncc2cc(CCc3cnccc3Br)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6Het6
-B-H	824	Cc1cnccc1Br.Nc1ncc2ccc(CCc3cnccc3Br)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6Phe
-B-H	825	Cc1cnccc1Br.Nc1c(Cc2cnccc2Br)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Br)cc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_PheHet5
-B-H	826	Cc1cnccc1Br.Nc1cc2cncc(CCc3cnccc3Br)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3Br)c2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_PheHet6
-B-H	827	Cc1cnccc1Br.NCc1ccccc1CCCc1cnccc1Br>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Benzylamine_primary
-B-H	828	Cc1cnccc1Br.NCc1cnccc1CCCc1cnccc1Br>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.HeteroBenzylamine_primary
+B-H	793	Cc1cnccc1Br.NCCNCCCCc1cnccc1Br>>Cc1cnccc1N(CCN)CCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	794	Cc1cnccc1Br.CNC=CNCCCCc1cnccc1Br>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	795	Cc1cnccc1Br.CNC=CNC=CCCc1cnccc1Br>>CNC=CN(C=CCCc1cnccc1Br)c1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	796	Cc1cnccc1Br.Brc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	797	Cc1cnccc1Br.Brc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	798	Cc1cnccc1Br.Brc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Br)C=C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	799	Cc1cnccc1Br.NCCNCCCc1cnccc1Br>>Cc1cnccc1NCCNCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_SaturatedAliphatic
+B-H	800	Cc1cnccc1Br.NC=CNCCCc1cnccc1Br>>Cc1cnccc1NC=CNCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_UnsaturatedAliphatic
+B-H	801	Cc1cnccc1Br.Nc1ccccc1Nc1ccc(CCc2cnccc2Br)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2Br)cc1)c1ccccc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	802	Cc1cnccc1Br.Brc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	803	Cc1cnccc1Br.Brc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1Br)c1ccccc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	804	Cc1cnccc1Br.Brc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	805	Cc1cnccc1Br.Brc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	806	Cc1cnccc1Br.Brc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	807	Cc1cnccc1Br.Nc1cccc(CCc2cnccc2Br)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Phe
+B-H	808	Cc1cnccc1Br.Nc1cc2ccc(CCc3cnccc3Br)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_PhePhe
+B-H	809	Cc1cnccc1Br.CC(Cc1cnccc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	810	Cc1cnccc1Br.Nc1cnccc1Nc1cncc(CCc2cnccc2Br)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	811	Cc1cnccc1Br.Brc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	812	Cc1cnccc1Br.Brc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1Br)c1ccncc1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	813	Cc1cnccc1Br.Brc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	814	Cc1cnccc1Br.Brc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	815	Cc1cnccc1Br.Brc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	816	Cc1cnccc1Br.Brc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	817	Cc1cnccc1Br.Nc1occ(CCc2cnccc2Br)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5
+B-H	818	Cc1cnccc1Br.Nc1oc2c(CCc3cnccc3Br)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5Het5
+B-H	819	Cc1cnccc1Br.Nc1oc2cc(CCc3cnccc3Br)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5Het6
+B-H	820	Cc1cnccc1Br.Nc1oc2ccc(CCc3cnccc3Br)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het5Phe
+B-H	821	Cc1cnccc1Br.Nc1nccc(CCc2cnccc2Br)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6
+B-H	822	Cc1cnccc1Br.Nc1c(Cc2cnccc2Br)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6Het5
+B-H	823	Cc1cnccc1Br.Nc1ncc2cc(CCc3cnccc3Br)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6Het6
+B-H	824	Cc1cnccc1Br.Nc1ncc2ccc(CCc3cnccc3Br)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_Het6Phe
+B-H	825	Cc1cnccc1Br.Nc1c(Cc2cnccc2Br)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Br)cc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_PheHet5
+B-H	826	Cc1cnccc1Br.Nc1cc2cncc(CCc3cnccc3Br)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3Br)c2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Amine_Primary_PheHet6
+B-H	827	Cc1cnccc1Br.NCc1ccccc1CCCc1cnccc1Br>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.Benzylamine_primary
+B-H	828	Cc1cnccc1Br.NCc1cnccc1CCCc1cnccc1Br>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6.HeteroBenzylamine_primary
 B-H	829	Cc1nc2cocc2cc1Br.NCCNCCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1N(CCN)CCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	830	Cc1nc2cocc2cc1Br.CNC=CNCCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1N(C)C=CNCCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	831	Cc1nc2cocc2cc1Br.CNC=CNC=CCCc1nc2cocc2cc1Br>>CNC=CN(C=CCCc1nc2cocc2cc1Br)c1cc2cocc2nc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -841,7 +841,7 @@ B-H	839	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CCNC=CNc1ccccc1>>Cc1nc2cocc2cc1N(C=CNCCc
 B-H	840	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1nc2cocc2cc1N1c2ccccc2CCC(Cc2nc3cocc3cc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	841	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1ccc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ccc(Cc3nc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	842	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1ccc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ccc(Cc3nc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	843	Cc1nc2cocc2cc1Br.Nc1cccc(CCc2nc3cocc3cc2Br)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Phe
+B-H	843	Cc1nc2cocc2cc1Br.Nc1cccc(CCc2nc3cocc3cc2Br)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Phe
 B-H	844	Cc1nc2cocc2cc1Br.Nc1cc2ccc(CCc3nc4cocc4cc3Br)cc2cc1N>>Cc1nc2cocc2cc1Nc1cc2ccc(CCc3nc4cocc4cc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_PhePhe
 B-H	845	Cc1nc2cocc2cc1Br.CC(Cc1nc2cocc2cc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1nc2cocc2cc1N(c1ccc(C(C)Cc2nc3cocc3cc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	846	Cc1nc2cocc2cc1Br.Nc1cnccc1Nc1cncc(CCc2nc3cocc3cc2Br)c1>>Cc1nc2cocc2cc1N(c1cncc(CCc2nc3cocc3cc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -851,11 +851,11 @@ B-H	849	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1nc2cocc2cc1
 B-H	850	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1nc2cocc2cc1N1c2ccncc2CCC(Cc2nc3cocc3cc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	851	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cnc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ncc(Cc3nc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	852	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cnc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ncc(Cc3nc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	853	Cc1nc2cocc2cc1Br.Nc1occ(CCc2nc3cocc3cc2Br)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het5
+B-H	853	Cc1nc2cocc2cc1Br.Nc1occ(CCc2nc3cocc3cc2Br)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het5
 B-H	854	Cc1nc2cocc2cc1Br.Nc1oc2c(CCc3nc4cocc4cc3Br)occ2c1N>>Cc1nc2cocc2cc1Nc1oc2c(CCc3nc4cocc4cc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het5Het5
 B-H	855	Cc1nc2cocc2cc1Br.Nc1oc2cc(CCc3nc4cocc4cc3Br)ncc2c1N>>Cc1nc2cocc2cc1Nc1oc2cc(CCc3nc4cocc4cc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het5Het6
 B-H	856	Cc1nc2cocc2cc1Br.Nc1oc2ccc(CCc3nc4cocc4cc3Br)cc2c1N>>Cc1nc2cocc2cc1Nc1oc2ccc(CCc3nc4cocc4cc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het5Phe
-B-H	857	Cc1nc2cocc2cc1Br.Nc1nccc(CCc2nc3cocc3cc2Br)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het6
+B-H	857	Cc1nc2cocc2cc1Br.Nc1nccc(CCc2nc3cocc3cc2Br)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het6
 B-H	858	Cc1nc2cocc2cc1Br.Nc1c(Cc2nc3cocc3cc2Br)nc2cocc2c1N>>Cc1nc2cocc2cc1Nc1c(Cc2nc3cocc3cc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het6Het5
 B-H	859	Cc1nc2cocc2cc1Br.Nc1ncc2cc(CCc3nc4cocc4cc3Br)ncc2c1N>>Cc1nc2cocc2cc1Nc1ncc2cc(CCc3nc4cocc4cc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het6Het6
 B-H	860	Cc1nc2cocc2cc1Br.Nc1ncc2ccc(CCc3nc4cocc4cc3Br)cc2c1N>>Cc1nc2cocc2cc1Nc1ncc2ccc(CCc3nc4cocc4cc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het5.Amine_Primary_Het6Phe
@@ -877,7 +877,7 @@ B-H	875	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Br
 B-H	876	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Br)ncc4ccncc34)Cc3ccccc32)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	877	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Br)ncc5ccncc45)cc32)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	878	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Br)ncc5ccncc45)cc32)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	879	Cc1c(Br)ncc2ccncc12.Nc1cccc(CCc2c(Br)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)ncc4ccncc34)c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Phe
+B-H	879	Cc1c(Br)ncc2ccncc12.Nc1cccc(CCc2c(Br)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)ncc4ccncc34)c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Phe
 B-H	880	Cc1c(Br)ncc2ccncc12.Nc1cc2ccc(CCc3c(Br)ncc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Br)ncc5ccncc45)cc3cc2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_PhePhe
 B-H	881	Cc1c(Br)ncc2ccncc12.CC(Cc1c(Br)ncc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Br)ncc4ccncc34)cc2)c2ccncc2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	882	Cc1c(Br)ncc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(Br)ncc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(Br)ncc4ccncc34)c2)c2ccncc2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -887,11 +887,11 @@ B-H	885	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3c
 B-H	886	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Br)ncc4ccncc34)Cc3ccncc32)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	887	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Br)ncc5ccncc45)cc32)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	888	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Br)ncc5ccncc45)cc32)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	889	Cc1c(Br)ncc2ccncc12.Nc1occ(CCc2c(Br)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)ncc4ccncc34)c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het5
+B-H	889	Cc1c(Br)ncc2ccncc12.Nc1occ(CCc2c(Br)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)ncc4ccncc34)c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het5
 B-H	890	Cc1c(Br)ncc2ccncc12.Nc1oc2c(CCc3c(Br)ncc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Br)ncc5ccncc45)occ3c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het5Het5
 B-H	891	Cc1c(Br)ncc2ccncc12.Nc1oc2cc(CCc3c(Br)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Br)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het5Het6
 B-H	892	Cc1c(Br)ncc2ccncc12.Nc1oc2ccc(CCc3c(Br)ncc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Br)ncc5ccncc45)cc3c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het5Phe
-B-H	893	Cc1c(Br)ncc2ccncc12.Nc1nccc(CCc2c(Br)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)ncc4ccncc34)c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het6
+B-H	893	Cc1c(Br)ncc2ccncc12.Nc1nccc(CCc2c(Br)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)ncc4ccncc34)c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het6
 B-H	894	Cc1c(Br)ncc2ccncc12.Nc1c(Cc2c(Br)ncc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Br)ncc4ccncc34)nc3cocc3c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het6Het5
 B-H	895	Cc1c(Br)ncc2ccncc12.Nc1ncc2cc(CCc3c(Br)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Br)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het6Het6
 B-H	896	Cc1c(Br)ncc2ccncc12.Nc1ncc2ccc(CCc3c(Br)ncc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Br)ncc5ccncc45)cc3c2N)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Het6.Amine_Primary_Het6Phe
@@ -913,7 +913,7 @@ B-H	911	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Br
 B-H	912	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Br)ncc4ccccc34)Cc3ccccc32)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	913	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Br)ncc5ccccc45)cc32)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	914	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Br)ncc5ccccc45)cc32)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	915	Cc1c(Br)ncc2ccccc12.Nc1cccc(CCc2c(Br)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)ncc4ccccc34)c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Phe
+B-H	915	Cc1c(Br)ncc2ccccc12.Nc1cccc(CCc2c(Br)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Br)ncc4ccccc34)c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Phe
 B-H	916	Cc1c(Br)ncc2ccccc12.Nc1cc2ccc(CCc3c(Br)ncc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Br)ncc5ccccc45)cc3cc2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_PhePhe
 B-H	917	Cc1c(Br)ncc2ccccc12.CC(Cc1c(Br)ncc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Br)ncc4ccccc34)cc2)c2ccncc2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	918	Cc1c(Br)ncc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Br)ncc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Br)ncc4ccccc34)c2)c2ccncc2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -923,11 +923,11 @@ B-H	921	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3c
 B-H	922	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Br)ncc4ccccc34)Cc3ccncc32)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	923	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Br)ncc5ccccc45)cc32)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	924	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Br)ncc5ccccc45)cc32)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	925	Cc1c(Br)ncc2ccccc12.Nc1occ(CCc2c(Br)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)ncc4ccccc34)c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het5
+B-H	925	Cc1c(Br)ncc2ccccc12.Nc1occ(CCc2c(Br)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Br)ncc4ccccc34)c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het5
 B-H	926	Cc1c(Br)ncc2ccccc12.Nc1oc2c(CCc3c(Br)ncc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Br)ncc5ccccc45)occ3c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het5Het5
 B-H	927	Cc1c(Br)ncc2ccccc12.Nc1oc2cc(CCc3c(Br)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Br)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het5Het6
 B-H	928	Cc1c(Br)ncc2ccccc12.Nc1oc2ccc(CCc3c(Br)ncc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Br)ncc5ccccc45)cc3c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het5Phe
-B-H	929	Cc1c(Br)ncc2ccccc12.Nc1nccc(CCc2c(Br)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)ncc4ccccc34)c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het6
+B-H	929	Cc1c(Br)ncc2ccccc12.Nc1nccc(CCc2c(Br)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Br)ncc4ccccc34)c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het6
 B-H	930	Cc1c(Br)ncc2ccccc12.Nc1c(Cc2c(Br)ncc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Br)ncc4ccccc34)nc3cocc3c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het6Het5
 B-H	931	Cc1c(Br)ncc2ccccc12.Nc1ncc2cc(CCc3c(Br)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Br)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het6Het6
 B-H	932	Cc1c(Br)ncc2ccccc12.Nc1ncc2ccc(CCc3c(Br)ncc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Br)ncc5ccccc45)cc3c2N)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_Het6Phe.Amine_Primary_Het6Phe
@@ -949,7 +949,7 @@ B-H	947	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CCNC=CNc1ccccc1>>Cc1cc2cocc2cc1N(C=CNCCc
 B-H	948	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cc2cocc2cc1N1c2ccccc2CCC(Cc2cc3cocc3cc2Br)Cc2ccccc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	949	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1ccc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ccc(Cc3cc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	950	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1ccc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ccc(Cc3cc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	951	Cc1cc2cocc2cc1Br.Nc1cccc(CCc2cc3cocc3cc2Br)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Phe
+B-H	951	Cc1cc2cocc2cc1Br.Nc1cccc(CCc2cc3cocc3cc2Br)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Phe
 B-H	952	Cc1cc2cocc2cc1Br.Nc1cc2ccc(CCc3cc4cocc4cc3Br)cc2cc1N>>Cc1cc2cocc2cc1Nc1cc2ccc(CCc3cc4cocc4cc3Br)cc2cc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_PhePhe
 B-H	953	Cc1cc2cocc2cc1Br.CC(Cc1cc2cocc2cc1Br)c1ccc(Nc2ccncc2N)cc1>>Cc1cc2cocc2cc1N(c1ccc(C(C)Cc2cc3cocc3cc2Br)cc1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	954	Cc1cc2cocc2cc1Br.Nc1cnccc1Nc1cncc(CCc2cc3cocc3cc2Br)c1>>Cc1cc2cocc2cc1N(c1cncc(CCc2cc3cocc3cc2Br)c1)c1ccncc1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -959,11 +959,11 @@ B-H	957	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cc2cocc2cc1
 B-H	958	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cc2cocc2cc1N1c2ccncc2CCC(Cc2cc3cocc3cc2Br)Cc2ccncc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	959	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cnc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ncc(Cc3cc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	960	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cnc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ncc(Cc3cc4cocc4cc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	961	Cc1cc2cocc2cc1Br.Nc1occ(CCc2cc3cocc3cc2Br)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het5
+B-H	961	Cc1cc2cocc2cc1Br.Nc1occ(CCc2cc3cocc3cc2Br)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het5
 B-H	962	Cc1cc2cocc2cc1Br.Nc1oc2c(CCc3cc4cocc4cc3Br)occ2c1N>>Cc1cc2cocc2cc1Nc1oc2c(CCc3cc4cocc4cc3Br)occ2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het5Het5
 B-H	963	Cc1cc2cocc2cc1Br.Nc1oc2cc(CCc3cc4cocc4cc3Br)ncc2c1N>>Cc1cc2cocc2cc1Nc1oc2cc(CCc3cc4cocc4cc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het5Het6
 B-H	964	Cc1cc2cocc2cc1Br.Nc1oc2ccc(CCc3cc4cocc4cc3Br)cc2c1N>>Cc1cc2cocc2cc1Nc1oc2ccc(CCc3cc4cocc4cc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het5Phe
-B-H	965	Cc1cc2cocc2cc1Br.Nc1nccc(CCc2cc3cocc3cc2Br)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het6
+B-H	965	Cc1cc2cocc2cc1Br.Nc1nccc(CCc2cc3cocc3cc2Br)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2Br)c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het6
 B-H	966	Cc1cc2cocc2cc1Br.Nc1c(Cc2cc3cocc3cc2Br)nc2cocc2c1N>>Cc1cc2cocc2cc1Nc1c(Cc2cc3cocc3cc2Br)nc2cocc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het6Het5
 B-H	967	Cc1cc2cocc2cc1Br.Nc1ncc2cc(CCc3cc4cocc4cc3Br)ncc2c1N>>Cc1cc2cocc2cc1Nc1ncc2cc(CCc3cc4cocc4cc3Br)ncc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het6Het6
 B-H	968	Cc1cc2cocc2cc1Br.Nc1ncc2ccc(CCc3cc4cocc4cc3Br)cc2c1N>>Cc1cc2cocc2cc1Nc1ncc2ccc(CCc3cc4cocc4cc3Br)cc2c1N	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet5.Amine_Primary_Het6Phe
@@ -985,7 +985,7 @@ B-H	983	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCCNC=CNc1ccccc1>>CCc1c(N(C=CNCCCc2
 B-H	984	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1c(N2c3ccccc3CCC(CCc3c(Br)ccc4ccncc34)Cc3ccccc32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	985	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1ccc2c(c1)NCCC2>>CCc1c(N2CCCc3ccc(CCc4c(Br)ccc5ccncc45)cc32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	986	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1ccc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ccc(CCc4c(Br)ccc5ccncc45)cc32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	987	CCc1c(Br)ccc2ccncc12.Nc1cccc(CCCc2c(Br)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(Br)ccc4ccncc34)c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Phe
+B-H	987	CCc1c(Br)ccc2ccncc12.Nc1cccc(CCCc2c(Br)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(Br)ccc4ccncc34)c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Phe
 B-H	988	CCc1c(Br)ccc2ccncc12.Nc1cc2ccc(CCCc3c(Br)ccc4ccncc34)cc2cc1N>>CCc1c(Nc2cc3ccc(CCCc4c(Br)ccc5ccncc45)cc3cc2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_PhePhe
 B-H	989	CCc1c(Br)ccc2ccncc12.CC(CCc1c(Br)ccc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>CCc1c(N(c2ccc(C(C)CCc3c(Br)ccc4ccncc34)cc2)c2ccncc2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	990	CCc1c(Br)ccc2ccncc12.Nc1cnccc1Nc1cncc(CCCc2c(Br)ccc3ccncc23)c1>>CCc1c(N(c2cncc(CCCc3c(Br)ccc4ccncc34)c2)c2ccncc2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -995,11 +995,11 @@ B-H	993	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCC1CCc2ccncc2Nc2ccccc2C1>>CCc1c(N2
 B-H	994	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1c(N2c3ccncc3CCC(CCc3c(Br)ccc4ccncc34)Cc3ccncc32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	995	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cnc2c(c1)NCCC2>>CCc1c(N2CCCc3ncc(CCc4c(Br)ccc5ccncc45)cc32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	996	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cnc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ncc(CCc4c(Br)ccc5ccncc45)cc32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Bromide_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	997	CCc1c(Br)ccc2ccncc12.Nc1occ(CCCc2c(Br)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(Br)ccc4ccncc34)c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het5
+B-H	997	CCc1c(Br)ccc2ccncc12.Nc1occ(CCCc2c(Br)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(Br)ccc4ccncc34)c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het5
 B-H	998	CCc1c(Br)ccc2ccncc12.Nc1oc2c(CCCc3c(Br)ccc4ccncc34)occ2c1N>>CCc1c(Nc2oc3c(CCCc4c(Br)ccc5ccncc45)occ3c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het5Het5
 B-H	999	CCc1c(Br)ccc2ccncc12.Nc1oc2cc(CCCc3c(Br)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2oc3cc(CCCc4c(Br)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het5Het6
 B-H	1000	CCc1c(Br)ccc2ccncc12.Nc1oc2ccc(CCCc3c(Br)ccc4ccncc34)cc2c1N>>CCc1c(Nc2oc3ccc(CCCc4c(Br)ccc5ccncc45)cc3c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het5Phe
-B-H	1001	CCc1c(Br)ccc2ccncc12.Nc1nccc(CCCc2c(Br)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(Br)ccc4ccncc34)c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het6
+B-H	1001	CCc1c(Br)ccc2ccncc12.Nc1nccc(CCCc2c(Br)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(Br)ccc4ccncc34)c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het6
 B-H	1002	CCc1c(Br)ccc2ccncc12.Nc1c(CCc2c(Br)ccc3ccncc23)nc2cocc2c1N>>CCc1c(Nc2c(CCc3c(Br)ccc4ccncc34)nc3cocc3c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het6Het5
 B-H	1003	CCc1c(Br)ccc2ccncc12.Nc1ncc2cc(CCCc3c(Br)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2ncc3cc(CCCc4c(Br)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het6Het6
 B-H	1004	CCc1c(Br)ccc2ccncc12.Nc1ncc2ccc(CCCc3c(Br)ccc4ccncc34)cc2c1N>>CCc1c(Nc2ncc3ccc(CCCc4c(Br)ccc5ccncc45)cc3c2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_Het6Phe
@@ -1007,42 +1007,42 @@ B-H	1005	CCc1c(Br)ccc2ccncc12.Nc1c(CCc2c(Br)ccc3ccncc23)cc2cocc2c1N>>CCc1c(Nc2c(
 B-H	1006	CCc1c(Br)ccc2ccncc12.Nc1cc2cncc(CCCc3c(Br)ccc4ccncc34)c2cc1N>>CCc1c(Nc2cc3cncc(CCCc4c(Br)ccc5ccncc45)c3cc2N)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Amine_Primary_PheHet6
 B-H	1007	CCc1c(Br)ccc2ccncc12.NCc1ccccc1CCCCc1c(Br)ccc2ccncc12>>CCc1c(NCc2ccccc2CCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.Benzylamine_primary
 B-H	1008	CCc1c(Br)ccc2ccncc12.NCc1cnccc1CCCCc1c(Br)ccc2ccncc12>>CCc1c(NCc2cnccc2CCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Bromide_PheHet6.HeteroBenzylamine_primary
-B-H	1009	Cc1cocc1Cl.NCCNCCCCc1cocc1Cl>>Cc1cocc1N(CCN)CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1010	Cc1cocc1Cl.CNC=CNCCCCc1cocc1Cl>>Cc1cocc1N(C)C=CNCCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1011	Cc1cocc1Cl.CNC=CNC=CCCc1cocc1Cl>>CNC=CN(C=CCCc1cocc1Cl)c1cocc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1012	Cc1cocc1Cl.Clc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1013	Cc1cocc1Cl.Clc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1014	Cc1cocc1Cl.Clc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1015	Cc1cocc1Cl.NCCNCCCc1cocc1Cl>>Cc1cocc1NCCNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_SaturatedAliphatic
-B-H	1016	Cc1cocc1Cl.NC=CNCCCc1cocc1Cl>>Cc1cocc1NC=CNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_UnsaturatedAliphatic
-B-H	1017	Cc1cocc1Cl.Nc1ccccc1Nc1ccc(CCc2cocc2Cl)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	1018	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1019	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1020	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	1021	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1022	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1023	Cc1cocc1Cl.Nc1cccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Phe
-B-H	1024	Cc1cocc1Cl.Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PhePhe
-B-H	1025	Cc1cocc1Cl.CC(Cc1cocc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	1026	Cc1cocc1Cl.Nc1cnccc1Nc1cncc(CCc2cocc2Cl)c1>>Cc1cocc1N(c1cncc(CCc2cocc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1027	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1028	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1029	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	1030	Cc1cocc1Cl.Clc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1031	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1032	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1033	Cc1cocc1Cl.Nc1occ(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1occ(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5
-B-H	1034	Cc1cocc1Cl.Nc1oc2c(CCc3cocc3Cl)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het5
-B-H	1035	Cc1cocc1Cl.Nc1oc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het6
-B-H	1036	Cc1cocc1Cl.Nc1oc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Phe
-B-H	1037	Cc1cocc1Cl.Nc1nccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6
-B-H	1038	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het5
-B-H	1039	Cc1cocc1Cl.Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het6
-B-H	1040	Cc1cocc1Cl.Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Phe
-B-H	1041	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet5
-B-H	1042	Cc1cocc1Cl.Nc1cc2cncc(CCc3cocc3Cl)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet6
-B-H	1043	Cc1cocc1Cl.NCc1ccccc1CCCc1cocc1Cl>>Cc1cocc1NCc1ccccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Benzylamine_primary
-B-H	1044	Cc1cocc1Cl.NCc1cnccc1CCCc1cocc1Cl>>Cc1cocc1NCc1cnccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.HeteroBenzylamine_primary
+B-H	1009	Cc1cocc1Cl.NCCNCCCCc1cocc1Cl>>Cc1cocc1N(CCN)CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1010	Cc1cocc1Cl.CNC=CNCCCCc1cocc1Cl>>Cc1cocc1N(C)C=CNCCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1011	Cc1cocc1Cl.CNC=CNC=CCCc1cocc1Cl>>CNC=CN(C=CCCc1cocc1Cl)c1cocc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1012	Cc1cocc1Cl.Clc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1013	Cc1cocc1Cl.Clc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1014	Cc1cocc1Cl.Clc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1015	Cc1cocc1Cl.NCCNCCCc1cocc1Cl>>Cc1cocc1NCCNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_SaturatedAliphatic
+B-H	1016	Cc1cocc1Cl.NC=CNCCCc1cocc1Cl>>Cc1cocc1NC=CNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_UnsaturatedAliphatic
+B-H	1017	Cc1cocc1Cl.Nc1ccccc1Nc1ccc(CCc2cocc2Cl)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	1018	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1019	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1020	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	1021	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1022	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1023	Cc1cocc1Cl.Nc1cccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Phe
+B-H	1024	Cc1cocc1Cl.Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PhePhe
+B-H	1025	Cc1cocc1Cl.CC(Cc1cocc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	1026	Cc1cocc1Cl.Nc1cnccc1Nc1cncc(CCc2cocc2Cl)c1>>Cc1cocc1N(c1cncc(CCc2cocc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1027	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1028	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1029	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	1030	Cc1cocc1Cl.Clc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1031	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1032	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1033	Cc1cocc1Cl.Nc1occ(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1occ(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5
+B-H	1034	Cc1cocc1Cl.Nc1oc2c(CCc3cocc3Cl)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het5
+B-H	1035	Cc1cocc1Cl.Nc1oc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het6
+B-H	1036	Cc1cocc1Cl.Nc1oc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Phe
+B-H	1037	Cc1cocc1Cl.Nc1nccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6
+B-H	1038	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het5
+B-H	1039	Cc1cocc1Cl.Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het6
+B-H	1040	Cc1cocc1Cl.Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Phe
+B-H	1041	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet5
+B-H	1042	Cc1cocc1Cl.Nc1cc2cncc(CCc3cocc3Cl)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet6
+B-H	1043	Cc1cocc1Cl.NCc1ccccc1CCCc1cocc1Cl>>Cc1cocc1NCc1ccccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Benzylamine_primary
+B-H	1044	Cc1cocc1Cl.NCc1cnccc1CCCc1cocc1Cl>>Cc1cocc1NCc1cnccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.HeteroBenzylamine_primary
 B-H	1045	Cc1c(Cl)oc2cocc12.NCCNCCCCc1c(Cl)oc2cocc12>>Cc1c(N(CCN)CCCCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	1046	Cc1c(Cl)oc2cocc12.CNC=CNCCCCc1c(Cl)oc2cocc12>>Cc1c(N(C)C=CNCCCCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	1047	Cc1c(Cl)oc2cocc12.CNC=CNC=CCCc1c(Cl)oc2cocc12>>CNC=CN(C=CCCc1c(Cl)oc2cocc12)c1oc2cocc2c1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -1057,7 +1057,7 @@ B-H	1055	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Cl)oc
 B-H	1056	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)oc4cocc34)Cc3ccccc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1057	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1058	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1059	Cc1c(Cl)oc2cocc12.Nc1cccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Phe
+B-H	1059	Cc1c(Cl)oc2cocc12.Nc1cccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Phe
 B-H	1060	Cc1c(Cl)oc2cocc12.Nc1cc2ccc(CCc3c(Cl)oc4cocc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)oc5cocc45)cc3cc2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_PhePhe
 B-H	1061	Cc1c(Cl)oc2cocc12.CC(Cc1c(Cl)oc2cocc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)oc4cocc34)cc2)c2ccncc2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1062	Cc1c(Cl)oc2cocc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)oc3cocc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)oc4cocc34)c2)c2ccncc2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1067,11 +1067,11 @@ B-H	1065	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cncc
 B-H	1066	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)oc4cocc34)Cc3ccncc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1067	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1068	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1069	Cc1c(Cl)oc2cocc12.Nc1occ(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5
+B-H	1069	Cc1c(Cl)oc2cocc12.Nc1occ(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5
 B-H	1070	Cc1c(Cl)oc2cocc12.Nc1oc2c(CCc3c(Cl)oc4cocc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)oc5cocc45)occ3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5Het5
 B-H	1071	Cc1c(Cl)oc2cocc12.Nc1oc2cc(CCc3c(Cl)oc4cocc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)oc5cocc45)ncc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5Het6
 B-H	1072	Cc1c(Cl)oc2cocc12.Nc1oc2ccc(CCc3c(Cl)oc4cocc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)oc5cocc45)cc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5Phe
-B-H	1073	Cc1c(Cl)oc2cocc12.Nc1nccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6
+B-H	1073	Cc1c(Cl)oc2cocc12.Nc1nccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6
 B-H	1074	Cc1c(Cl)oc2cocc12.Nc1c(Cc2c(Cl)oc3cocc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)oc4cocc34)nc3cocc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6Het5
 B-H	1075	Cc1c(Cl)oc2cocc12.Nc1ncc2cc(CCc3c(Cl)oc4cocc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)oc5cocc45)ncc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6Het6
 B-H	1076	Cc1c(Cl)oc2cocc12.Nc1ncc2ccc(CCc3c(Cl)oc4cocc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)oc5cocc45)cc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6Phe
@@ -1093,7 +1093,7 @@ B-H	1091	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Cl)
 B-H	1092	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)oc4ccncc34)Cc3ccccc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1093	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1094	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1095	Cc1c(Cl)oc2ccncc12.Nc1cccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Phe
+B-H	1095	Cc1c(Cl)oc2ccncc12.Nc1cccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Phe
 B-H	1096	Cc1c(Cl)oc2ccncc12.Nc1cc2ccc(CCc3c(Cl)oc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)oc5ccncc45)cc3cc2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_PhePhe
 B-H	1097	Cc1c(Cl)oc2ccncc12.CC(Cc1c(Cl)oc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)oc4ccncc34)cc2)c2ccncc2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1098	Cc1c(Cl)oc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)oc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)oc4ccncc34)c2)c2ccncc2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1103,11 +1103,11 @@ B-H	1101	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cn
 B-H	1102	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)oc4ccncc34)Cc3ccncc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1103	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1104	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1105	Cc1c(Cl)oc2ccncc12.Nc1occ(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5
+B-H	1105	Cc1c(Cl)oc2ccncc12.Nc1occ(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5
 B-H	1106	Cc1c(Cl)oc2ccncc12.Nc1oc2c(CCc3c(Cl)oc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)oc5ccncc45)occ3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5Het5
 B-H	1107	Cc1c(Cl)oc2ccncc12.Nc1oc2cc(CCc3c(Cl)oc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)oc5ccncc45)ncc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5Het6
 B-H	1108	Cc1c(Cl)oc2ccncc12.Nc1oc2ccc(CCc3c(Cl)oc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)oc5ccncc45)cc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5Phe
-B-H	1109	Cc1c(Cl)oc2ccncc12.Nc1nccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6
+B-H	1109	Cc1c(Cl)oc2ccncc12.Nc1nccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6
 B-H	1110	Cc1c(Cl)oc2ccncc12.Nc1c(Cc2c(Cl)oc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)oc4ccncc34)nc3cocc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6Het5
 B-H	1111	Cc1c(Cl)oc2ccncc12.Nc1ncc2cc(CCc3c(Cl)oc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)oc5ccncc45)ncc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6Het6
 B-H	1112	Cc1c(Cl)oc2ccncc12.Nc1ncc2ccc(CCc3c(Cl)oc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)oc5ccncc45)cc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6Phe
@@ -1129,7 +1129,7 @@ B-H	1127	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(Cl)
 B-H	1128	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)oc4ccccc34)Cc3ccccc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1129	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1130	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1131	Cc1c(Cl)oc2ccccc12.Nc1cccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Phe
+B-H	1131	Cc1c(Cl)oc2ccccc12.Nc1cccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Phe
 B-H	1132	Cc1c(Cl)oc2ccccc12.Nc1cc2ccc(CCc3c(Cl)oc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)oc5ccccc45)cc3cc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_PhePhe
 B-H	1133	Cc1c(Cl)oc2ccccc12.CC(Cc1c(Cl)oc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)oc4ccccc34)cc2)c2ccncc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1134	Cc1c(Cl)oc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)oc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)oc4ccccc34)c2)c2ccncc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1139,11 +1139,11 @@ B-H	1137	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cn
 B-H	1138	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)oc4ccccc34)Cc3ccncc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1139	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1140	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1141	Cc1c(Cl)oc2ccccc12.Nc1occ(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5
+B-H	1141	Cc1c(Cl)oc2ccccc12.Nc1occ(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5
 B-H	1142	Cc1c(Cl)oc2ccccc12.Nc1oc2c(CCc3c(Cl)oc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)oc5ccccc45)occ3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5Het5
 B-H	1143	Cc1c(Cl)oc2ccccc12.Nc1oc2cc(CCc3c(Cl)oc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)oc5ccccc45)ncc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5Het6
 B-H	1144	Cc1c(Cl)oc2ccccc12.Nc1oc2ccc(CCc3c(Cl)oc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)oc5ccccc45)cc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5Phe
-B-H	1145	Cc1c(Cl)oc2ccccc12.Nc1nccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6
+B-H	1145	Cc1c(Cl)oc2ccccc12.Nc1nccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6
 B-H	1146	Cc1c(Cl)oc2ccccc12.Nc1c(Cc2c(Cl)oc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)oc4ccccc34)nc3cocc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6Het5
 B-H	1147	Cc1c(Cl)oc2ccccc12.Nc1ncc2cc(CCc3c(Cl)oc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)oc5ccccc45)ncc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6Het6
 B-H	1148	Cc1c(Cl)oc2ccccc12.Nc1ncc2ccc(CCc3c(Cl)oc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)oc5ccccc45)cc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6Phe
@@ -1151,42 +1151,42 @@ B-H	1149	Cc1c(Cl)oc2ccccc12.Nc1c(Cc2c(Cl)oc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(Cc3c(
 B-H	1150	Cc1c(Cl)oc2ccccc12.Nc1cc2cncc(CCc3c(Cl)oc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(Cl)oc5ccccc45)c3cc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_PheHet6
 B-H	1151	Cc1c(Cl)oc2ccccc12.NCc1ccccc1CCCc1c(Cl)oc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Benzylamine_primary
 B-H	1152	Cc1c(Cl)oc2ccccc12.NCc1cnccc1CCCc1c(Cl)oc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.HeteroBenzylamine_primary
-B-H	1153	Cc1cnccc1Cl.NCCNCCCCc1cnccc1Cl>>Cc1cnccc1N(CCN)CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1154	Cc1cnccc1Cl.CNC=CNCCCCc1cnccc1Cl>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1155	Cc1cnccc1Cl.CNC=CNC=CCCc1cnccc1Cl>>CNC=CN(C=CCCc1cnccc1Cl)c1ccncc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1156	Cc1cnccc1Cl.Clc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1157	Cc1cnccc1Cl.Clc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1158	Cc1cnccc1Cl.Clc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1159	Cc1cnccc1Cl.NCCNCCCc1cnccc1Cl>>Cc1cnccc1NCCNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_SaturatedAliphatic
-B-H	1160	Cc1cnccc1Cl.NC=CNCCCc1cnccc1Cl>>Cc1cnccc1NC=CNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_UnsaturatedAliphatic
-B-H	1161	Cc1cnccc1Cl.Nc1ccccc1Nc1ccc(CCc2cnccc2Cl)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	1162	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1163	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1164	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	1165	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1166	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1167	Cc1cnccc1Cl.Nc1cccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Phe
-B-H	1168	Cc1cnccc1Cl.Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PhePhe
-B-H	1169	Cc1cnccc1Cl.CC(Cc1cnccc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	1170	Cc1cnccc1Cl.Nc1cnccc1Nc1cncc(CCc2cnccc2Cl)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1171	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1172	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1173	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	1174	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1175	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1176	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1177	Cc1cnccc1Cl.Nc1occ(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5
-B-H	1178	Cc1cnccc1Cl.Nc1oc2c(CCc3cnccc3Cl)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het5
-B-H	1179	Cc1cnccc1Cl.Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het6
-B-H	1180	Cc1cnccc1Cl.Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Phe
-B-H	1181	Cc1cnccc1Cl.Nc1nccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6
-B-H	1182	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het5
-B-H	1183	Cc1cnccc1Cl.Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het6
-B-H	1184	Cc1cnccc1Cl.Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Phe
-B-H	1185	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet5
-B-H	1186	Cc1cnccc1Cl.Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet6
-B-H	1187	Cc1cnccc1Cl.NCc1ccccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Benzylamine_primary
-B-H	1188	Cc1cnccc1Cl.NCc1cnccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.HeteroBenzylamine_primary
+B-H	1153	Cc1cnccc1Cl.NCCNCCCCc1cnccc1Cl>>Cc1cnccc1N(CCN)CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1154	Cc1cnccc1Cl.CNC=CNCCCCc1cnccc1Cl>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1155	Cc1cnccc1Cl.CNC=CNC=CCCc1cnccc1Cl>>CNC=CN(C=CCCc1cnccc1Cl)c1ccncc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1156	Cc1cnccc1Cl.Clc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1157	Cc1cnccc1Cl.Clc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1158	Cc1cnccc1Cl.Clc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1159	Cc1cnccc1Cl.NCCNCCCc1cnccc1Cl>>Cc1cnccc1NCCNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_SaturatedAliphatic
+B-H	1160	Cc1cnccc1Cl.NC=CNCCCc1cnccc1Cl>>Cc1cnccc1NC=CNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_UnsaturatedAliphatic
+B-H	1161	Cc1cnccc1Cl.Nc1ccccc1Nc1ccc(CCc2cnccc2Cl)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	1162	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1163	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1164	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	1165	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1166	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1167	Cc1cnccc1Cl.Nc1cccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Phe
+B-H	1168	Cc1cnccc1Cl.Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PhePhe
+B-H	1169	Cc1cnccc1Cl.CC(Cc1cnccc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	1170	Cc1cnccc1Cl.Nc1cnccc1Nc1cncc(CCc2cnccc2Cl)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1171	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1172	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1173	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	1174	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1175	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1176	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1177	Cc1cnccc1Cl.Nc1occ(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5
+B-H	1178	Cc1cnccc1Cl.Nc1oc2c(CCc3cnccc3Cl)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het5
+B-H	1179	Cc1cnccc1Cl.Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het6
+B-H	1180	Cc1cnccc1Cl.Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Phe
+B-H	1181	Cc1cnccc1Cl.Nc1nccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6
+B-H	1182	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het5
+B-H	1183	Cc1cnccc1Cl.Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het6
+B-H	1184	Cc1cnccc1Cl.Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Phe
+B-H	1185	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet5
+B-H	1186	Cc1cnccc1Cl.Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet6
+B-H	1187	Cc1cnccc1Cl.NCc1ccccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Benzylamine_primary
+B-H	1188	Cc1cnccc1Cl.NCc1cnccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.HeteroBenzylamine_primary
 B-H	1189	Cc1nc2cocc2cc1Cl.NCCNCCCCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1N(CCN)CCCCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	1190	Cc1nc2cocc2cc1Cl.CNC=CNCCCCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1N(C)C=CNCCCCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	1191	Cc1nc2cocc2cc1Cl.CNC=CNC=CCCc1nc2cocc2cc1Cl>>CNC=CN(C=CCCc1nc2cocc2cc1Cl)c1cc2cocc2nc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -1201,7 +1201,7 @@ B-H	1199	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CCNC=CNc1ccccc1>>Cc1nc2cocc2cc1N(C=CNCC
 B-H	1200	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1nc2cocc2cc1N1c2ccccc2CCC(Cc2nc3cocc3cc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1201	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ccc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1202	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ccc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1203	Cc1nc2cocc2cc1Cl.Nc1cccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Phe
+B-H	1203	Cc1nc2cocc2cc1Cl.Nc1cccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Phe
 B-H	1204	Cc1nc2cocc2cc1Cl.Nc1cc2ccc(CCc3nc4cocc4cc3Cl)cc2cc1N>>Cc1nc2cocc2cc1Nc1cc2ccc(CCc3nc4cocc4cc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_PhePhe
 B-H	1205	Cc1nc2cocc2cc1Cl.CC(Cc1nc2cocc2cc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1nc2cocc2cc1N(c1ccc(C(C)Cc2nc3cocc3cc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1206	Cc1nc2cocc2cc1Cl.Nc1cnccc1Nc1cncc(CCc2nc3cocc3cc2Cl)c1>>Cc1nc2cocc2cc1N(c1cncc(CCc2nc3cocc3cc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1211,11 +1211,11 @@ B-H	1209	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1nc2cocc2cc
 B-H	1210	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1nc2cocc2cc1N1c2ccncc2CCC(Cc2nc3cocc3cc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1211	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ncc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1212	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ncc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1213	Cc1nc2cocc2cc1Cl.Nc1occ(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5
+B-H	1213	Cc1nc2cocc2cc1Cl.Nc1occ(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5
 B-H	1214	Cc1nc2cocc2cc1Cl.Nc1oc2c(CCc3nc4cocc4cc3Cl)occ2c1N>>Cc1nc2cocc2cc1Nc1oc2c(CCc3nc4cocc4cc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5Het5
 B-H	1215	Cc1nc2cocc2cc1Cl.Nc1oc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N>>Cc1nc2cocc2cc1Nc1oc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5Het6
 B-H	1216	Cc1nc2cocc2cc1Cl.Nc1oc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N>>Cc1nc2cocc2cc1Nc1oc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5Phe
-B-H	1217	Cc1nc2cocc2cc1Cl.Nc1nccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6
+B-H	1217	Cc1nc2cocc2cc1Cl.Nc1nccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6
 B-H	1218	Cc1nc2cocc2cc1Cl.Nc1c(Cc2nc3cocc3cc2Cl)nc2cocc2c1N>>Cc1nc2cocc2cc1Nc1c(Cc2nc3cocc3cc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6Het5
 B-H	1219	Cc1nc2cocc2cc1Cl.Nc1ncc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N>>Cc1nc2cocc2cc1Nc1ncc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6Het6
 B-H	1220	Cc1nc2cocc2cc1Cl.Nc1ncc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N>>Cc1nc2cocc2cc1Nc1ncc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6Phe
@@ -1237,7 +1237,7 @@ B-H	1235	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(C
 B-H	1236	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)ncc4ccncc34)Cc3ccccc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1237	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1238	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1239	Cc1c(Cl)ncc2ccncc12.Nc1cccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Phe
+B-H	1239	Cc1c(Cl)ncc2ccncc12.Nc1cccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Phe
 B-H	1240	Cc1c(Cl)ncc2ccncc12.Nc1cc2ccc(CCc3c(Cl)ncc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)ncc5ccncc45)cc3cc2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_PhePhe
 B-H	1241	Cc1c(Cl)ncc2ccncc12.CC(Cc1c(Cl)ncc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)ncc4ccncc34)cc2)c2ccncc2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1242	Cc1c(Cl)ncc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)ncc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)ncc4ccncc34)c2)c2ccncc2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1247,11 +1247,11 @@ B-H	1245	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3
 B-H	1246	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)ncc4ccncc34)Cc3ccncc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1247	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1248	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1249	Cc1c(Cl)ncc2ccncc12.Nc1occ(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5
+B-H	1249	Cc1c(Cl)ncc2ccncc12.Nc1occ(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5
 B-H	1250	Cc1c(Cl)ncc2ccncc12.Nc1oc2c(CCc3c(Cl)ncc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)ncc5ccncc45)occ3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5Het5
 B-H	1251	Cc1c(Cl)ncc2ccncc12.Nc1oc2cc(CCc3c(Cl)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5Het6
 B-H	1252	Cc1c(Cl)ncc2ccncc12.Nc1oc2ccc(CCc3c(Cl)ncc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)ncc5ccncc45)cc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5Phe
-B-H	1253	Cc1c(Cl)ncc2ccncc12.Nc1nccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6
+B-H	1253	Cc1c(Cl)ncc2ccncc12.Nc1nccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6
 B-H	1254	Cc1c(Cl)ncc2ccncc12.Nc1c(Cc2c(Cl)ncc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)ncc4ccncc34)nc3cocc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6Het5
 B-H	1255	Cc1c(Cl)ncc2ccncc12.Nc1ncc2cc(CCc3c(Cl)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6Het6
 B-H	1256	Cc1c(Cl)ncc2ccncc12.Nc1ncc2ccc(CCc3c(Cl)ncc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)ncc5ccncc45)cc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6Phe
@@ -1273,7 +1273,7 @@ B-H	1271	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(C
 B-H	1272	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)ncc4ccccc34)Cc3ccccc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1273	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1274	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1275	Cc1c(Cl)ncc2ccccc12.Nc1cccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Phe
+B-H	1275	Cc1c(Cl)ncc2ccccc12.Nc1cccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Phe
 B-H	1276	Cc1c(Cl)ncc2ccccc12.Nc1cc2ccc(CCc3c(Cl)ncc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)ncc5ccccc45)cc3cc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_PhePhe
 B-H	1277	Cc1c(Cl)ncc2ccccc12.CC(Cc1c(Cl)ncc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)ncc4ccccc34)cc2)c2ccncc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1278	Cc1c(Cl)ncc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)ncc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)ncc4ccccc34)c2)c2ccncc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1283,11 +1283,11 @@ B-H	1281	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3
 B-H	1282	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)ncc4ccccc34)Cc3ccncc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1283	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1284	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1285	Cc1c(Cl)ncc2ccccc12.Nc1occ(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5
+B-H	1285	Cc1c(Cl)ncc2ccccc12.Nc1occ(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5
 B-H	1286	Cc1c(Cl)ncc2ccccc12.Nc1oc2c(CCc3c(Cl)ncc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)ncc5ccccc45)occ3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5Het5
 B-H	1287	Cc1c(Cl)ncc2ccccc12.Nc1oc2cc(CCc3c(Cl)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5Het6
 B-H	1288	Cc1c(Cl)ncc2ccccc12.Nc1oc2ccc(CCc3c(Cl)ncc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)ncc5ccccc45)cc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5Phe
-B-H	1289	Cc1c(Cl)ncc2ccccc12.Nc1nccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6
+B-H	1289	Cc1c(Cl)ncc2ccccc12.Nc1nccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6
 B-H	1290	Cc1c(Cl)ncc2ccccc12.Nc1c(Cc2c(Cl)ncc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)ncc4ccccc34)nc3cocc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6Het5
 B-H	1291	Cc1c(Cl)ncc2ccccc12.Nc1ncc2cc(CCc3c(Cl)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6Het6
 B-H	1292	Cc1c(Cl)ncc2ccccc12.Nc1ncc2ccc(CCc3c(Cl)ncc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)ncc5ccccc45)cc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6Phe
@@ -1295,42 +1295,42 @@ B-H	1293	Cc1c(Cl)ncc2ccccc12.Nc1c(Cc2c(Cl)ncc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(Cc3
 B-H	1294	Cc1c(Cl)ncc2ccccc12.Nc1cc2cncc(CCc3c(Cl)ncc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(Cl)ncc5ccccc45)c3cc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_PheHet6
 B-H	1295	Cc1c(Cl)ncc2ccccc12.NCc1ccccc1CCCc1c(Cl)ncc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Benzylamine_primary
 B-H	1296	Cc1c(Cl)ncc2ccccc12.NCc1cnccc1CCCc1c(Cl)ncc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.HeteroBenzylamine_primary
-B-H	1297	Cc1cocc1I.NCCNCCCCc1cocc1I>>Cc1cocc1N(CCN)CCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1298	Cc1cocc1I.CNC=CNCCCCc1cocc1I>>Cc1cocc1N(C)C=CNCCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1299	Cc1cocc1I.CNC=CNC=CCCc1cocc1I>>CNC=CN(C=CCCc1cocc1I)c1cocc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1300	Cc1cocc1I.Ic1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1301	Cc1cocc1I.Ic1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1302	Cc1cocc1I.Ic1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2I)C=C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1303	Cc1cocc1I.NCCNCCCc1cocc1I>>Cc1cocc1NCCNCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_SaturatedAliphatic
-B-H	1304	Cc1cocc1I.NC=CNCCCc1cocc1I>>Cc1cocc1NC=CNCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_UnsaturatedAliphatic
-B-H	1305	Cc1cocc1I.Nc1ccccc1Nc1ccc(CCc2cocc2I)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2I)cc1)c1ccccc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	1306	Cc1cocc1I.Ic1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1307	Cc1cocc1I.Ic1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1308	Cc1cocc1I.Ic1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	1309	Cc1cocc1I.Ic1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1310	Cc1cocc1I.Ic1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1311	Cc1cocc1I.Nc1cccc(CCc2cocc2I)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Phe
-B-H	1312	Cc1cocc1I.Nc1cc2ccc(CCc3cocc3I)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_PhePhe
-B-H	1313	Cc1cocc1I.CC(Cc1cocc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	1314	Cc1cocc1I.Nc1cnccc1Nc1cncc(CCc2cocc2I)c1>>Cc1cocc1N(c1cncc(CCc2cocc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1315	Cc1cocc1I.Ic1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1316	Cc1cocc1I.Ic1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1317	Cc1cocc1I.Ic1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	1318	Cc1cocc1I.Ic1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1319	Cc1cocc1I.Ic1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1320	Cc1cocc1I.Ic1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1321	Cc1cocc1I.Nc1occ(CCc2cocc2I)c1N>>Cc1cocc1Nc1occ(CCc2cocc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5
-B-H	1322	Cc1cocc1I.Nc1oc2c(CCc3cocc3I)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5Het5
-B-H	1323	Cc1cocc1I.Nc1oc2cc(CCc3cocc3I)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5Het6
-B-H	1324	Cc1cocc1I.Nc1oc2ccc(CCc3cocc3I)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5Phe
-B-H	1325	Cc1cocc1I.Nc1nccc(CCc2cocc2I)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6
-B-H	1326	Cc1cocc1I.Nc1c(Cc2cocc2I)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6Het5
-B-H	1327	Cc1cocc1I.Nc1ncc2cc(CCc3cocc3I)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6Het6
-B-H	1328	Cc1cocc1I.Nc1ncc2ccc(CCc3cocc3I)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6Phe
-B-H	1329	Cc1cocc1I.Nc1c(Cc2cocc2I)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2I)cc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_PheHet5
-B-H	1330	Cc1cocc1I.Nc1cc2cncc(CCc3cocc3I)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3I)c2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_PheHet6
-B-H	1331	Cc1cocc1I.NCc1ccccc1CCCc1cocc1I>>Cc1cocc1NCc1ccccc1CCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Benzylamine_primary
-B-H	1332	Cc1cocc1I.NCc1cnccc1CCCc1cocc1I>>Cc1cocc1NCc1cnccc1CCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.HeteroBenzylamine_primary
+B-H	1297	Cc1cocc1I.NCCNCCCCc1cocc1I>>Cc1cocc1N(CCN)CCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1298	Cc1cocc1I.CNC=CNCCCCc1cocc1I>>Cc1cocc1N(C)C=CNCCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1299	Cc1cocc1I.CNC=CNC=CCCc1cocc1I>>CNC=CN(C=CCCc1cocc1I)c1cocc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1300	Cc1cocc1I.Ic1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1301	Cc1cocc1I.Ic1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1302	Cc1cocc1I.Ic1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2I)C=C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1303	Cc1cocc1I.NCCNCCCc1cocc1I>>Cc1cocc1NCCNCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_SaturatedAliphatic
+B-H	1304	Cc1cocc1I.NC=CNCCCc1cocc1I>>Cc1cocc1NC=CNCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_UnsaturatedAliphatic
+B-H	1305	Cc1cocc1I.Nc1ccccc1Nc1ccc(CCc2cocc2I)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2I)cc1)c1ccccc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	1306	Cc1cocc1I.Ic1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1307	Cc1cocc1I.Ic1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1308	Cc1cocc1I.Ic1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	1309	Cc1cocc1I.Ic1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1310	Cc1cocc1I.Ic1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1311	Cc1cocc1I.Nc1cccc(CCc2cocc2I)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Phe
+B-H	1312	Cc1cocc1I.Nc1cc2ccc(CCc3cocc3I)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_PhePhe
+B-H	1313	Cc1cocc1I.CC(Cc1cocc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	1314	Cc1cocc1I.Nc1cnccc1Nc1cncc(CCc2cocc2I)c1>>Cc1cocc1N(c1cncc(CCc2cocc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1315	Cc1cocc1I.Ic1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1316	Cc1cocc1I.Ic1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1317	Cc1cocc1I.Ic1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	1318	Cc1cocc1I.Ic1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1319	Cc1cocc1I.Ic1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1320	Cc1cocc1I.Ic1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1321	Cc1cocc1I.Nc1occ(CCc2cocc2I)c1N>>Cc1cocc1Nc1occ(CCc2cocc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5
+B-H	1322	Cc1cocc1I.Nc1oc2c(CCc3cocc3I)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5Het5
+B-H	1323	Cc1cocc1I.Nc1oc2cc(CCc3cocc3I)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5Het6
+B-H	1324	Cc1cocc1I.Nc1oc2ccc(CCc3cocc3I)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het5Phe
+B-H	1325	Cc1cocc1I.Nc1nccc(CCc2cocc2I)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6
+B-H	1326	Cc1cocc1I.Nc1c(Cc2cocc2I)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6Het5
+B-H	1327	Cc1cocc1I.Nc1ncc2cc(CCc3cocc3I)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6Het6
+B-H	1328	Cc1cocc1I.Nc1ncc2ccc(CCc3cocc3I)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_Het6Phe
+B-H	1329	Cc1cocc1I.Nc1c(Cc2cocc2I)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2I)cc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_PheHet5
+B-H	1330	Cc1cocc1I.Nc1cc2cncc(CCc3cocc3I)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3I)c2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Amine_Primary_PheHet6
+B-H	1331	Cc1cocc1I.NCc1ccccc1CCCc1cocc1I>>Cc1cocc1NCc1ccccc1CCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.Benzylamine_primary
+B-H	1332	Cc1cocc1I.NCc1cnccc1CCCc1cocc1I>>Cc1cocc1NCc1cnccc1CCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5.HeteroBenzylamine_primary
 B-H	1333	Cc1c(I)oc2cocc12.NCCNCCCCc1c(I)oc2cocc12>>Cc1c(N(CCN)CCCCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	1334	Cc1c(I)oc2cocc12.CNC=CNCCCCc1c(I)oc2cocc12>>Cc1c(N(C)C=CNCCCCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	1335	Cc1c(I)oc2cocc12.CNC=CNC=CCCc1c(I)oc2cocc12>>CNC=CN(C=CCCc1c(I)oc2cocc12)c1oc2cocc2c1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -1345,7 +1345,7 @@ B-H	1343	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(I)oc3co
 B-H	1344	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(I)oc4cocc34)Cc3ccccc32)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1345	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(I)oc5cocc45)cc32)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1346	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(I)oc5cocc45)cc32)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1347	Cc1c(I)oc2cocc12.Nc1cccc(CCc2c(I)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)oc4cocc34)c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Phe
+B-H	1347	Cc1c(I)oc2cocc12.Nc1cccc(CCc2c(I)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)oc4cocc34)c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Phe
 B-H	1348	Cc1c(I)oc2cocc12.Nc1cc2ccc(CCc3c(I)oc4cocc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(I)oc5cocc45)cc3cc2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_PhePhe
 B-H	1349	Cc1c(I)oc2cocc12.CC(Cc1c(I)oc2cocc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(I)oc4cocc34)cc2)c2ccncc2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1350	Cc1c(I)oc2cocc12.Nc1cnccc1Nc1cncc(CCc2c(I)oc3cocc23)c1>>Cc1c(N(c2cncc(CCc3c(I)oc4cocc34)c2)c2ccncc2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1355,11 +1355,11 @@ B-H	1353	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cnccc3
 B-H	1354	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(I)oc4cocc34)Cc3ccncc32)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1355	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(I)oc5cocc45)cc32)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1356	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(I)oc5cocc45)cc32)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1357	Cc1c(I)oc2cocc12.Nc1occ(CCc2c(I)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(I)oc4cocc34)c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het5
+B-H	1357	Cc1c(I)oc2cocc12.Nc1occ(CCc2c(I)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(I)oc4cocc34)c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het5
 B-H	1358	Cc1c(I)oc2cocc12.Nc1oc2c(CCc3c(I)oc4cocc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(I)oc5cocc45)occ3c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het5Het5
 B-H	1359	Cc1c(I)oc2cocc12.Nc1oc2cc(CCc3c(I)oc4cocc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(I)oc5cocc45)ncc3c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het5Het6
 B-H	1360	Cc1c(I)oc2cocc12.Nc1oc2ccc(CCc3c(I)oc4cocc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(I)oc5cocc45)cc3c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het5Phe
-B-H	1361	Cc1c(I)oc2cocc12.Nc1nccc(CCc2c(I)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)oc4cocc34)c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het6
+B-H	1361	Cc1c(I)oc2cocc12.Nc1nccc(CCc2c(I)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)oc4cocc34)c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het6
 B-H	1362	Cc1c(I)oc2cocc12.Nc1c(Cc2c(I)oc3cocc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)oc4cocc34)nc3cocc3c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het6Het5
 B-H	1363	Cc1c(I)oc2cocc12.Nc1ncc2cc(CCc3c(I)oc4cocc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(I)oc5cocc45)ncc3c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het6Het6
 B-H	1364	Cc1c(I)oc2cocc12.Nc1ncc2ccc(CCc3c(I)oc4cocc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(I)oc5cocc45)cc3c2N)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het5.Amine_Primary_Het6Phe
@@ -1381,7 +1381,7 @@ B-H	1379	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(I)oc3
 B-H	1380	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(I)oc4ccncc34)Cc3ccccc32)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1381	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(I)oc5ccncc45)cc32)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1382	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(I)oc5ccncc45)cc32)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1383	Cc1c(I)oc2ccncc12.Nc1cccc(CCc2c(I)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)oc4ccncc34)c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Phe
+B-H	1383	Cc1c(I)oc2ccncc12.Nc1cccc(CCc2c(I)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)oc4ccncc34)c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Phe
 B-H	1384	Cc1c(I)oc2ccncc12.Nc1cc2ccc(CCc3c(I)oc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(I)oc5ccncc45)cc3cc2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_PhePhe
 B-H	1385	Cc1c(I)oc2ccncc12.CC(Cc1c(I)oc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(I)oc4ccncc34)cc2)c2ccncc2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1386	Cc1c(I)oc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(I)oc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(I)oc4ccncc34)c2)c2ccncc2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1391,11 +1391,11 @@ B-H	1389	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cncc
 B-H	1390	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(I)oc4ccncc34)Cc3ccncc32)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1391	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(I)oc5ccncc45)cc32)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1392	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(I)oc5ccncc45)cc32)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1393	Cc1c(I)oc2ccncc12.Nc1occ(CCc2c(I)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(I)oc4ccncc34)c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het5
+B-H	1393	Cc1c(I)oc2ccncc12.Nc1occ(CCc2c(I)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(I)oc4ccncc34)c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het5
 B-H	1394	Cc1c(I)oc2ccncc12.Nc1oc2c(CCc3c(I)oc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(I)oc5ccncc45)occ3c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het5Het5
 B-H	1395	Cc1c(I)oc2ccncc12.Nc1oc2cc(CCc3c(I)oc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(I)oc5ccncc45)ncc3c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het5Het6
 B-H	1396	Cc1c(I)oc2ccncc12.Nc1oc2ccc(CCc3c(I)oc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(I)oc5ccncc45)cc3c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het5Phe
-B-H	1397	Cc1c(I)oc2ccncc12.Nc1nccc(CCc2c(I)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)oc4ccncc34)c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het6
+B-H	1397	Cc1c(I)oc2ccncc12.Nc1nccc(CCc2c(I)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)oc4ccncc34)c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het6
 B-H	1398	Cc1c(I)oc2ccncc12.Nc1c(Cc2c(I)oc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)oc4ccncc34)nc3cocc3c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het6Het5
 B-H	1399	Cc1c(I)oc2ccncc12.Nc1ncc2cc(CCc3c(I)oc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(I)oc5ccncc45)ncc3c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het6Het6
 B-H	1400	Cc1c(I)oc2ccncc12.Nc1ncc2ccc(CCc3c(I)oc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(I)oc5ccncc45)cc3c2N)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Het6.Amine_Primary_Het6Phe
@@ -1417,7 +1417,7 @@ B-H	1415	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(I)oc3
 B-H	1416	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(I)oc4ccccc34)Cc3ccccc32)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1417	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(I)oc5ccccc45)cc32)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1418	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(I)oc5ccccc45)cc32)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1419	Cc1c(I)oc2ccccc12.Nc1cccc(CCc2c(I)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)oc4ccccc34)c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Phe
+B-H	1419	Cc1c(I)oc2ccccc12.Nc1cccc(CCc2c(I)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)oc4ccccc34)c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Phe
 B-H	1420	Cc1c(I)oc2ccccc12.Nc1cc2ccc(CCc3c(I)oc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(I)oc5ccccc45)cc3cc2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_PhePhe
 B-H	1421	Cc1c(I)oc2ccccc12.CC(Cc1c(I)oc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(I)oc4ccccc34)cc2)c2ccncc2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1422	Cc1c(I)oc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(I)oc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(I)oc4ccccc34)c2)c2ccncc2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1427,11 +1427,11 @@ B-H	1425	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cncc
 B-H	1426	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(I)oc4ccccc34)Cc3ccncc32)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1427	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(I)oc5ccccc45)cc32)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1428	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(I)oc5ccccc45)cc32)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1429	Cc1c(I)oc2ccccc12.Nc1occ(CCc2c(I)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(I)oc4ccccc34)c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het5
+B-H	1429	Cc1c(I)oc2ccccc12.Nc1occ(CCc2c(I)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(I)oc4ccccc34)c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het5
 B-H	1430	Cc1c(I)oc2ccccc12.Nc1oc2c(CCc3c(I)oc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(I)oc5ccccc45)occ3c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het5Het5
 B-H	1431	Cc1c(I)oc2ccccc12.Nc1oc2cc(CCc3c(I)oc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(I)oc5ccccc45)ncc3c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het5Het6
 B-H	1432	Cc1c(I)oc2ccccc12.Nc1oc2ccc(CCc3c(I)oc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(I)oc5ccccc45)cc3c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het5Phe
-B-H	1433	Cc1c(I)oc2ccccc12.Nc1nccc(CCc2c(I)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)oc4ccccc34)c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het6
+B-H	1433	Cc1c(I)oc2ccccc12.Nc1nccc(CCc2c(I)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)oc4ccccc34)c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het6
 B-H	1434	Cc1c(I)oc2ccccc12.Nc1c(Cc2c(I)oc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)oc4ccccc34)nc3cocc3c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het6Het5
 B-H	1435	Cc1c(I)oc2ccccc12.Nc1ncc2cc(CCc3c(I)oc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(I)oc5ccccc45)ncc3c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het6Het6
 B-H	1436	Cc1c(I)oc2ccccc12.Nc1ncc2ccc(CCc3c(I)oc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(I)oc5ccccc45)cc3c2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_Het6Phe
@@ -1439,42 +1439,42 @@ B-H	1437	Cc1c(I)oc2ccccc12.Nc1c(Cc2c(I)oc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)
 B-H	1438	Cc1c(I)oc2ccccc12.Nc1cc2cncc(CCc3c(I)oc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(I)oc5ccccc45)c3cc2N)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Amine_Primary_PheHet6
 B-H	1439	Cc1c(I)oc2ccccc12.NCc1ccccc1CCCc1c(I)oc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.Benzylamine_primary
 B-H	1440	Cc1c(I)oc2ccccc12.NCc1cnccc1CCCc1c(I)oc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het5Phe.HeteroBenzylamine_primary
-B-H	1441	Cc1cnccc1I.NCCNCCCCc1cnccc1I>>Cc1cnccc1N(CCN)CCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1442	Cc1cnccc1I.CNC=CNCCCCc1cnccc1I>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1443	Cc1cnccc1I.CNC=CNC=CCCc1cnccc1I>>CNC=CN(C=CCCc1cnccc1I)c1ccncc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1444	Cc1cnccc1I.Ic1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1445	Cc1cnccc1I.Ic1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1446	Cc1cnccc1I.Ic1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2I)C=C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1447	Cc1cnccc1I.NCCNCCCc1cnccc1I>>Cc1cnccc1NCCNCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_SaturatedAliphatic
-B-H	1448	Cc1cnccc1I.NC=CNCCCc1cnccc1I>>Cc1cnccc1NC=CNCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_UnsaturatedAliphatic
-B-H	1449	Cc1cnccc1I.Nc1ccccc1Nc1ccc(CCc2cnccc2I)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2I)cc1)c1ccccc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	1450	Cc1cnccc1I.Ic1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1451	Cc1cnccc1I.Ic1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1452	Cc1cnccc1I.Ic1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	1453	Cc1cnccc1I.Ic1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1454	Cc1cnccc1I.Ic1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1455	Cc1cnccc1I.Nc1cccc(CCc2cnccc2I)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Phe
-B-H	1456	Cc1cnccc1I.Nc1cc2ccc(CCc3cnccc3I)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_PhePhe
-B-H	1457	Cc1cnccc1I.CC(Cc1cnccc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	1458	Cc1cnccc1I.Nc1cnccc1Nc1cncc(CCc2cnccc2I)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1459	Cc1cnccc1I.Ic1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1460	Cc1cnccc1I.Ic1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1461	Cc1cnccc1I.Ic1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	1462	Cc1cnccc1I.Ic1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1463	Cc1cnccc1I.Ic1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1464	Cc1cnccc1I.Ic1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1465	Cc1cnccc1I.Nc1occ(CCc2cnccc2I)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5
-B-H	1466	Cc1cnccc1I.Nc1oc2c(CCc3cnccc3I)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5Het5
-B-H	1467	Cc1cnccc1I.Nc1oc2cc(CCc3cnccc3I)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5Het6
-B-H	1468	Cc1cnccc1I.Nc1oc2ccc(CCc3cnccc3I)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5Phe
-B-H	1469	Cc1cnccc1I.Nc1nccc(CCc2cnccc2I)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6
-B-H	1470	Cc1cnccc1I.Nc1c(Cc2cnccc2I)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6Het5
-B-H	1471	Cc1cnccc1I.Nc1ncc2cc(CCc3cnccc3I)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6Het6
-B-H	1472	Cc1cnccc1I.Nc1ncc2ccc(CCc3cnccc3I)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6Phe
-B-H	1473	Cc1cnccc1I.Nc1c(Cc2cnccc2I)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2I)cc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_PheHet5
-B-H	1474	Cc1cnccc1I.Nc1cc2cncc(CCc3cnccc3I)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3I)c2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_PheHet6
-B-H	1475	Cc1cnccc1I.NCc1ccccc1CCCc1cnccc1I>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Benzylamine_primary
-B-H	1476	Cc1cnccc1I.NCc1cnccc1CCCc1cnccc1I>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.HeteroBenzylamine_primary
+B-H	1441	Cc1cnccc1I.NCCNCCCCc1cnccc1I>>Cc1cnccc1N(CCN)CCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1442	Cc1cnccc1I.CNC=CNCCCCc1cnccc1I>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1443	Cc1cnccc1I.CNC=CNC=CCCc1cnccc1I>>CNC=CN(C=CCCc1cnccc1I)c1ccncc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1444	Cc1cnccc1I.Ic1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1445	Cc1cnccc1I.Ic1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1446	Cc1cnccc1I.Ic1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2I)C=C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1447	Cc1cnccc1I.NCCNCCCc1cnccc1I>>Cc1cnccc1NCCNCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_SaturatedAliphatic
+B-H	1448	Cc1cnccc1I.NC=CNCCCc1cnccc1I>>Cc1cnccc1NC=CNCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_UnsaturatedAliphatic
+B-H	1449	Cc1cnccc1I.Nc1ccccc1Nc1ccc(CCc2cnccc2I)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2I)cc1)c1ccccc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	1450	Cc1cnccc1I.Ic1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1451	Cc1cnccc1I.Ic1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1I)c1ccccc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1452	Cc1cnccc1I.Ic1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	1453	Cc1cnccc1I.Ic1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1454	Cc1cnccc1I.Ic1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1455	Cc1cnccc1I.Nc1cccc(CCc2cnccc2I)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Phe
+B-H	1456	Cc1cnccc1I.Nc1cc2ccc(CCc3cnccc3I)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_PhePhe
+B-H	1457	Cc1cnccc1I.CC(Cc1cnccc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	1458	Cc1cnccc1I.Nc1cnccc1Nc1cncc(CCc2cnccc2I)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1459	Cc1cnccc1I.Ic1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1460	Cc1cnccc1I.Ic1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1I)c1ccncc1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1461	Cc1cnccc1I.Ic1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	1462	Cc1cnccc1I.Ic1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1463	Cc1cnccc1I.Ic1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1464	Cc1cnccc1I.Ic1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1465	Cc1cnccc1I.Nc1occ(CCc2cnccc2I)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5
+B-H	1466	Cc1cnccc1I.Nc1oc2c(CCc3cnccc3I)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5Het5
+B-H	1467	Cc1cnccc1I.Nc1oc2cc(CCc3cnccc3I)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5Het6
+B-H	1468	Cc1cnccc1I.Nc1oc2ccc(CCc3cnccc3I)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het5Phe
+B-H	1469	Cc1cnccc1I.Nc1nccc(CCc2cnccc2I)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6
+B-H	1470	Cc1cnccc1I.Nc1c(Cc2cnccc2I)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6Het5
+B-H	1471	Cc1cnccc1I.Nc1ncc2cc(CCc3cnccc3I)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6Het6
+B-H	1472	Cc1cnccc1I.Nc1ncc2ccc(CCc3cnccc3I)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_Het6Phe
+B-H	1473	Cc1cnccc1I.Nc1c(Cc2cnccc2I)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2I)cc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_PheHet5
+B-H	1474	Cc1cnccc1I.Nc1cc2cncc(CCc3cnccc3I)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3I)c2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Amine_Primary_PheHet6
+B-H	1475	Cc1cnccc1I.NCc1ccccc1CCCc1cnccc1I>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.Benzylamine_primary
+B-H	1476	Cc1cnccc1I.NCc1cnccc1CCCc1cnccc1I>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6.HeteroBenzylamine_primary
 B-H	1477	Cc1nc2cocc2cc1I.NCCNCCCCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1N(CCN)CCCCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	1478	Cc1nc2cocc2cc1I.CNC=CNCCCCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1N(C)C=CNCCCCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	1479	Cc1nc2cocc2cc1I.CNC=CNC=CCCc1nc2cocc2cc1I>>CNC=CN(C=CCCc1nc2cocc2cc1I)c1cc2cocc2nc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -1489,7 +1489,7 @@ B-H	1487	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1CCNC=CNc1ccccc1>>Cc1nc2cocc2cc1N(C=CNCCc1
 B-H	1488	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1nc2cocc2cc1N1c2ccccc2CCC(Cc2nc3cocc3cc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1489	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1ccc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ccc(Cc3nc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1490	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1ccc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ccc(Cc3nc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1491	Cc1nc2cocc2cc1I.Nc1cccc(CCc2nc3cocc3cc2I)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Phe
+B-H	1491	Cc1nc2cocc2cc1I.Nc1cccc(CCc2nc3cocc3cc2I)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Phe
 B-H	1492	Cc1nc2cocc2cc1I.Nc1cc2ccc(CCc3nc4cocc4cc3I)cc2cc1N>>Cc1nc2cocc2cc1Nc1cc2ccc(CCc3nc4cocc4cc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_PhePhe
 B-H	1493	Cc1nc2cocc2cc1I.CC(Cc1nc2cocc2cc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1nc2cocc2cc1N(c1ccc(C(C)Cc2nc3cocc3cc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1494	Cc1nc2cocc2cc1I.Nc1cnccc1Nc1cncc(CCc2nc3cocc3cc2I)c1>>Cc1nc2cocc2cc1N(c1cncc(CCc2nc3cocc3cc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1499,11 +1499,11 @@ B-H	1497	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1nc2cocc2cc1N
 B-H	1498	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1nc2cocc2cc1N1c2ccncc2CCC(Cc2nc3cocc3cc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1499	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1cnc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ncc(Cc3nc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1500	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1cnc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ncc(Cc3nc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1501	Cc1nc2cocc2cc1I.Nc1occ(CCc2nc3cocc3cc2I)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het5
+B-H	1501	Cc1nc2cocc2cc1I.Nc1occ(CCc2nc3cocc3cc2I)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het5
 B-H	1502	Cc1nc2cocc2cc1I.Nc1oc2c(CCc3nc4cocc4cc3I)occ2c1N>>Cc1nc2cocc2cc1Nc1oc2c(CCc3nc4cocc4cc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het5Het5
 B-H	1503	Cc1nc2cocc2cc1I.Nc1oc2cc(CCc3nc4cocc4cc3I)ncc2c1N>>Cc1nc2cocc2cc1Nc1oc2cc(CCc3nc4cocc4cc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het5Het6
 B-H	1504	Cc1nc2cocc2cc1I.Nc1oc2ccc(CCc3nc4cocc4cc3I)cc2c1N>>Cc1nc2cocc2cc1Nc1oc2ccc(CCc3nc4cocc4cc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het5Phe
-B-H	1505	Cc1nc2cocc2cc1I.Nc1nccc(CCc2nc3cocc3cc2I)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het6
+B-H	1505	Cc1nc2cocc2cc1I.Nc1nccc(CCc2nc3cocc3cc2I)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het6
 B-H	1506	Cc1nc2cocc2cc1I.Nc1c(Cc2nc3cocc3cc2I)nc2cocc2c1N>>Cc1nc2cocc2cc1Nc1c(Cc2nc3cocc3cc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het6Het5
 B-H	1507	Cc1nc2cocc2cc1I.Nc1ncc2cc(CCc3nc4cocc4cc3I)ncc2c1N>>Cc1nc2cocc2cc1Nc1ncc2cc(CCc3nc4cocc4cc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het6Het6
 B-H	1508	Cc1nc2cocc2cc1I.Nc1ncc2ccc(CCc3nc4cocc4cc3I)cc2c1N>>Cc1nc2cocc2cc1Nc1ncc2ccc(CCc3nc4cocc4cc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het5.Amine_Primary_Het6Phe
@@ -1525,7 +1525,7 @@ B-H	1523	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(I)n
 B-H	1524	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(I)ncc4ccncc34)Cc3ccccc32)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1525	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(I)ncc5ccncc45)cc32)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1526	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(I)ncc5ccncc45)cc32)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1527	Cc1c(I)ncc2ccncc12.Nc1cccc(CCc2c(I)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)ncc4ccncc34)c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Phe
+B-H	1527	Cc1c(I)ncc2ccncc12.Nc1cccc(CCc2c(I)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)ncc4ccncc34)c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Phe
 B-H	1528	Cc1c(I)ncc2ccncc12.Nc1cc2ccc(CCc3c(I)ncc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(I)ncc5ccncc45)cc3cc2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_PhePhe
 B-H	1529	Cc1c(I)ncc2ccncc12.CC(Cc1c(I)ncc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(I)ncc4ccncc34)cc2)c2ccncc2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1530	Cc1c(I)ncc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(I)ncc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(I)ncc4ccncc34)c2)c2ccncc2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1535,11 +1535,11 @@ B-H	1533	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cn
 B-H	1534	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(I)ncc4ccncc34)Cc3ccncc32)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1535	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(I)ncc5ccncc45)cc32)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1536	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(I)ncc5ccncc45)cc32)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1537	Cc1c(I)ncc2ccncc12.Nc1occ(CCc2c(I)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(I)ncc4ccncc34)c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het5
+B-H	1537	Cc1c(I)ncc2ccncc12.Nc1occ(CCc2c(I)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(I)ncc4ccncc34)c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het5
 B-H	1538	Cc1c(I)ncc2ccncc12.Nc1oc2c(CCc3c(I)ncc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(I)ncc5ccncc45)occ3c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het5Het5
 B-H	1539	Cc1c(I)ncc2ccncc12.Nc1oc2cc(CCc3c(I)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(I)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het5Het6
 B-H	1540	Cc1c(I)ncc2ccncc12.Nc1oc2ccc(CCc3c(I)ncc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(I)ncc5ccncc45)cc3c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het5Phe
-B-H	1541	Cc1c(I)ncc2ccncc12.Nc1nccc(CCc2c(I)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)ncc4ccncc34)c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het6
+B-H	1541	Cc1c(I)ncc2ccncc12.Nc1nccc(CCc2c(I)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)ncc4ccncc34)c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het6
 B-H	1542	Cc1c(I)ncc2ccncc12.Nc1c(Cc2c(I)ncc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)ncc4ccncc34)nc3cocc3c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het6Het5
 B-H	1543	Cc1c(I)ncc2ccncc12.Nc1ncc2cc(CCc3c(I)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(I)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het6Het6
 B-H	1544	Cc1c(I)ncc2ccncc12.Nc1ncc2ccc(CCc3c(I)ncc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(I)ncc5ccncc45)cc3c2N)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Het6.Amine_Primary_Het6Phe
@@ -1561,7 +1561,7 @@ B-H	1559	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(I)n
 B-H	1560	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(I)ncc4ccccc34)Cc3ccccc32)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1561	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(I)ncc5ccccc45)cc32)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1562	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(I)ncc5ccccc45)cc32)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1563	Cc1c(I)ncc2ccccc12.Nc1cccc(CCc2c(I)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)ncc4ccccc34)c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Phe
+B-H	1563	Cc1c(I)ncc2ccccc12.Nc1cccc(CCc2c(I)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(I)ncc4ccccc34)c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Phe
 B-H	1564	Cc1c(I)ncc2ccccc12.Nc1cc2ccc(CCc3c(I)ncc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(I)ncc5ccccc45)cc3cc2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_PhePhe
 B-H	1565	Cc1c(I)ncc2ccccc12.CC(Cc1c(I)ncc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(I)ncc4ccccc34)cc2)c2ccncc2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1566	Cc1c(I)ncc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(I)ncc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(I)ncc4ccccc34)c2)c2ccncc2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1571,11 +1571,11 @@ B-H	1569	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c3cn
 B-H	1570	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(I)ncc4ccccc34)Cc3ccncc32)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1571	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(I)ncc5ccccc45)cc32)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1572	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(I)ncc5ccccc45)cc32)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1573	Cc1c(I)ncc2ccccc12.Nc1occ(CCc2c(I)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(I)ncc4ccccc34)c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het5
+B-H	1573	Cc1c(I)ncc2ccccc12.Nc1occ(CCc2c(I)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(I)ncc4ccccc34)c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het5
 B-H	1574	Cc1c(I)ncc2ccccc12.Nc1oc2c(CCc3c(I)ncc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(I)ncc5ccccc45)occ3c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het5Het5
 B-H	1575	Cc1c(I)ncc2ccccc12.Nc1oc2cc(CCc3c(I)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(I)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het5Het6
 B-H	1576	Cc1c(I)ncc2ccccc12.Nc1oc2ccc(CCc3c(I)ncc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(I)ncc5ccccc45)cc3c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het5Phe
-B-H	1577	Cc1c(I)ncc2ccccc12.Nc1nccc(CCc2c(I)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)ncc4ccccc34)c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het6
+B-H	1577	Cc1c(I)ncc2ccccc12.Nc1nccc(CCc2c(I)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(I)ncc4ccccc34)c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het6
 B-H	1578	Cc1c(I)ncc2ccccc12.Nc1c(Cc2c(I)ncc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(I)ncc4ccccc34)nc3cocc3c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het6Het5
 B-H	1579	Cc1c(I)ncc2ccccc12.Nc1ncc2cc(CCc3c(I)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(I)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het6Het6
 B-H	1580	Cc1c(I)ncc2ccccc12.Nc1ncc2ccc(CCc3c(I)ncc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(I)ncc5ccccc45)cc3c2N)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_Het6Phe.Amine_Primary_Het6Phe
@@ -1597,7 +1597,7 @@ B-H	1595	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1CCNC=CNc1ccccc1>>Cc1cc2cocc2cc1N(C=CNCCc1
 B-H	1596	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cc2cocc2cc1N1c2ccccc2CCC(Cc2cc3cocc3cc2I)Cc2ccccc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1597	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1ccc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ccc(Cc3cc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1598	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1ccc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ccc(Cc3cc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1599	Cc1cc2cocc2cc1I.Nc1cccc(CCc2cc3cocc3cc2I)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Phe
+B-H	1599	Cc1cc2cocc2cc1I.Nc1cccc(CCc2cc3cocc3cc2I)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Phe
 B-H	1600	Cc1cc2cocc2cc1I.Nc1cc2ccc(CCc3cc4cocc4cc3I)cc2cc1N>>Cc1cc2cocc2cc1Nc1cc2ccc(CCc3cc4cocc4cc3I)cc2cc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_PhePhe
 B-H	1601	Cc1cc2cocc2cc1I.CC(Cc1cc2cocc2cc1I)c1ccc(Nc2ccncc2N)cc1>>Cc1cc2cocc2cc1N(c1ccc(C(C)Cc2cc3cocc3cc2I)cc1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1602	Cc1cc2cocc2cc1I.Nc1cnccc1Nc1cncc(CCc2cc3cocc3cc2I)c1>>Cc1cc2cocc2cc1N(c1cncc(CCc2cc3cocc3cc2I)c1)c1ccncc1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1607,11 +1607,11 @@ B-H	1605	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cc2cocc2cc1N
 B-H	1606	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cc2cocc2cc1N1c2ccncc2CCC(Cc2cc3cocc3cc2I)Cc2ccncc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1607	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1cnc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ncc(Cc3cc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1608	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1cnc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ncc(Cc3cc4cocc4cc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1609	Cc1cc2cocc2cc1I.Nc1occ(CCc2cc3cocc3cc2I)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het5
+B-H	1609	Cc1cc2cocc2cc1I.Nc1occ(CCc2cc3cocc3cc2I)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het5
 B-H	1610	Cc1cc2cocc2cc1I.Nc1oc2c(CCc3cc4cocc4cc3I)occ2c1N>>Cc1cc2cocc2cc1Nc1oc2c(CCc3cc4cocc4cc3I)occ2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het5Het5
 B-H	1611	Cc1cc2cocc2cc1I.Nc1oc2cc(CCc3cc4cocc4cc3I)ncc2c1N>>Cc1cc2cocc2cc1Nc1oc2cc(CCc3cc4cocc4cc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het5Het6
 B-H	1612	Cc1cc2cocc2cc1I.Nc1oc2ccc(CCc3cc4cocc4cc3I)cc2c1N>>Cc1cc2cocc2cc1Nc1oc2ccc(CCc3cc4cocc4cc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het5Phe
-B-H	1613	Cc1cc2cocc2cc1I.Nc1nccc(CCc2cc3cocc3cc2I)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het6
+B-H	1613	Cc1cc2cocc2cc1I.Nc1nccc(CCc2cc3cocc3cc2I)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2I)c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het6
 B-H	1614	Cc1cc2cocc2cc1I.Nc1c(Cc2cc3cocc3cc2I)nc2cocc2c1N>>Cc1cc2cocc2cc1Nc1c(Cc2cc3cocc3cc2I)nc2cocc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het6Het5
 B-H	1615	Cc1cc2cocc2cc1I.Nc1ncc2cc(CCc3cc4cocc4cc3I)ncc2c1N>>Cc1cc2cocc2cc1Nc1ncc2cc(CCc3cc4cocc4cc3I)ncc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het6Het6
 B-H	1616	Cc1cc2cocc2cc1I.Nc1ncc2ccc(CCc3cc4cocc4cc3I)cc2c1N>>Cc1cc2cocc2cc1Nc1ncc2ccc(CCc3cc4cocc4cc3I)cc2c1N	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet5.Amine_Primary_Het6Phe
@@ -1633,7 +1633,7 @@ B-H	1631	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCCNC=CNc1ccccc1>>CCc1c(N(C=CNCCCc2c
 B-H	1632	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1c(N2c3ccccc3CCC(CCc3c(I)ccc4ccncc34)Cc3ccccc32)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1633	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1ccc2c(c1)NCCC2>>CCc1c(N2CCCc3ccc(CCc4c(I)ccc5ccncc45)cc32)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1634	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1ccc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ccc(CCc4c(I)ccc5ccncc45)cc32)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1635	CCc1c(I)ccc2ccncc12.Nc1cccc(CCCc2c(I)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(I)ccc4ccncc34)c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Phe
+B-H	1635	CCc1c(I)ccc2ccncc12.Nc1cccc(CCCc2c(I)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(I)ccc4ccncc34)c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Phe
 B-H	1636	CCc1c(I)ccc2ccncc12.Nc1cc2ccc(CCCc3c(I)ccc4ccncc34)cc2cc1N>>CCc1c(Nc2cc3ccc(CCCc4c(I)ccc5ccncc45)cc3cc2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_PhePhe
 B-H	1637	CCc1c(I)ccc2ccncc12.CC(CCc1c(I)ccc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>CCc1c(N(c2ccc(C(C)CCc3c(I)ccc4ccncc34)cc2)c2ccncc2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1638	CCc1c(I)ccc2ccncc12.Nc1cnccc1Nc1cncc(CCCc2c(I)ccc3ccncc23)c1>>CCc1c(N(c2cncc(CCCc3c(I)ccc4ccncc34)c2)c2ccncc2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1643,11 +1643,11 @@ B-H	1641	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCC1CCc2ccncc2Nc2ccccc2C1>>CCc1c(N2c
 B-H	1642	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1c(N2c3ccncc3CCC(CCc3c(I)ccc4ccncc34)Cc3ccncc32)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1643	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1cnc2c(c1)NCCC2>>CCc1c(N2CCCc3ncc(CCc4c(I)ccc5ccncc45)cc32)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1644	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1cnc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ncc(CCc4c(I)ccc5ccncc45)cc32)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Iodide_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1645	CCc1c(I)ccc2ccncc12.Nc1occ(CCCc2c(I)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(I)ccc4ccncc34)c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het5
+B-H	1645	CCc1c(I)ccc2ccncc12.Nc1occ(CCCc2c(I)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(I)ccc4ccncc34)c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het5
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 B-H	1647	CCc1c(I)ccc2ccncc12.Nc1oc2cc(CCCc3c(I)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2oc3cc(CCCc4c(I)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het5Het6
 B-H	1648	CCc1c(I)ccc2ccncc12.Nc1oc2ccc(CCCc3c(I)ccc4ccncc34)cc2c1N>>CCc1c(Nc2oc3ccc(CCCc4c(I)ccc5ccncc45)cc3c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het5Phe
-B-H	1649	CCc1c(I)ccc2ccncc12.Nc1nccc(CCCc2c(I)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(I)ccc4ccncc34)c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het6
+B-H	1649	CCc1c(I)ccc2ccncc12.Nc1nccc(CCCc2c(I)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(I)ccc4ccncc34)c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het6
 B-H	1650	CCc1c(I)ccc2ccncc12.Nc1c(CCc2c(I)ccc3ccncc23)nc2cocc2c1N>>CCc1c(Nc2c(CCc3c(I)ccc4ccncc34)nc3cocc3c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het6Het5
 B-H	1651	CCc1c(I)ccc2ccncc12.Nc1ncc2cc(CCCc3c(I)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2ncc3cc(CCCc4c(I)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het6Het6
 B-H	1652	CCc1c(I)ccc2ccncc12.Nc1ncc2ccc(CCCc3c(I)ccc4ccncc34)cc2c1N>>CCc1c(Nc2ncc3ccc(CCCc4c(I)ccc5ccncc45)cc3c2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_Het6Phe
@@ -1655,42 +1655,42 @@ B-H	1653	CCc1c(I)ccc2ccncc12.Nc1c(CCc2c(I)ccc3ccncc23)cc2cocc2c1N>>CCc1c(Nc2c(CC
 B-H	1654	CCc1c(I)ccc2ccncc12.Nc1cc2cncc(CCCc3c(I)ccc4ccncc34)c2cc1N>>CCc1c(Nc2cc3cncc(CCCc4c(I)ccc5ccncc45)c3cc2N)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Amine_Primary_PheHet6
 B-H	1655	CCc1c(I)ccc2ccncc12.NCc1ccccc1CCCCc1c(I)ccc2ccncc12>>CCc1c(NCc2ccccc2CCCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.Benzylamine_primary
 B-H	1656	CCc1c(I)ccc2ccncc12.NCc1cnccc1CCCCc1c(I)ccc2ccncc12>>CCc1c(NCc2cnccc2CCCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Iodide_PheHet6.HeteroBenzylamine_primary
-B-H	1657	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCCNCCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1N(CCN)CCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1658	Cc1cocc1OS(=O)(=O)C(F)(F)F.CNC=CNCCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1N(C)C=CNCCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1659	Cc1cocc1OS(=O)(=O)C(F)(F)F.CNC=CNC=CCCc1cocc1OS(=O)(=O)C(F)(F)F>>CNC=CN(C=CCCc1cocc1OS(=O)(=O)C(F)(F)F)c1cocc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1660	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCC1CCCNC1)C(F)(F)F>>Cc1cocc1N1CCCC(CCc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1661	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCC1CC=CNC1)C(F)(F)F>>Cc1cocc1N1C=CCC(CCc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1662	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCC1C=CNC=CC1)C(F)(F)F>>Cc1cocc1N1C=CCC(CCc2cocc2OS(=O)(=O)C(F)(F)F)C=C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1663	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCCNCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NCCNCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_SaturatedAliphatic
-B-H	1664	Cc1cocc1OS(=O)(=O)C(F)(F)F.NC=CNCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NC=CNCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_UnsaturatedAliphatic
-B-H	1665	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1ccccc1Nc1ccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	1666	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNCCNc1ccccc1)C(F)(F)F>>Cc1cocc1N(CCNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1667	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNC=CNc1ccccc1)C(F)(F)F>>Cc1cocc1N(C=CNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1668	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	1669	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1cocc1N1CCCc2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1670	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1671	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Phe
-B-H	1672	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_PhePhe
-B-H	1673	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC(Cc1cocc1OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	1674	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1>>Cc1cocc1N(c1cncc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1675	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNCCNc1ccncc1)C(F)(F)F>>Cc1cocc1N(CCNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1676	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNC=CNc1ccncc1)C(F)(F)F>>Cc1cocc1N(C=CNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1677	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCc2ccncc2Nc2ccccc2C1)C(F)(F)F>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	1678	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1679	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1cocc1N1CCCc2ncc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1680	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1681	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cocc1Nc1occ(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5
-B-H	1682	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3cocc3OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5Het5
-B-H	1683	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5Het6
-B-H	1684	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5Phe
-B-H	1685	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6
-B-H	1686	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6Het5
-B-H	1687	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6Het6
-B-H	1688	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6Phe
-B-H	1689	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_PheHet5
-B-H	1690	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cc2cncc(CCc3cocc3OS(=O)(=O)C(F)(F)F)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3OS(=O)(=O)C(F)(F)F)c2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_PheHet6
-B-H	1691	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCc1ccccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NCc1ccccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Benzylamine_primary
-B-H	1692	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCc1cnccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NCc1cnccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.HeteroBenzylamine_primary
+B-H	1657	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCCNCCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1N(CCN)CCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1658	Cc1cocc1OS(=O)(=O)C(F)(F)F.CNC=CNCCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1N(C)C=CNCCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1659	Cc1cocc1OS(=O)(=O)C(F)(F)F.CNC=CNC=CCCc1cocc1OS(=O)(=O)C(F)(F)F>>CNC=CN(C=CCCc1cocc1OS(=O)(=O)C(F)(F)F)c1cocc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1660	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCC1CCCNC1)C(F)(F)F>>Cc1cocc1N1CCCC(CCc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1661	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCC1CC=CNC1)C(F)(F)F>>Cc1cocc1N1C=CCC(CCc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1662	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCC1C=CNC=CC1)C(F)(F)F>>Cc1cocc1N1C=CCC(CCc2cocc2OS(=O)(=O)C(F)(F)F)C=C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1663	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCCNCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NCCNCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_SaturatedAliphatic
+B-H	1664	Cc1cocc1OS(=O)(=O)C(F)(F)F.NC=CNCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NC=CNCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_UnsaturatedAliphatic
+B-H	1665	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1ccccc1Nc1ccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	1666	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNCCNc1ccccc1)C(F)(F)F>>Cc1cocc1N(CCNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1667	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNC=CNc1ccccc1)C(F)(F)F>>Cc1cocc1N(C=CNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1668	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	1669	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1cocc1N1CCCc2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1670	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1671	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Phe
+B-H	1672	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_PhePhe
+B-H	1673	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC(Cc1cocc1OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	1674	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1>>Cc1cocc1N(c1cncc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1675	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNCCNc1ccncc1)C(F)(F)F>>Cc1cocc1N(CCNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1676	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCNC=CNc1ccncc1)C(F)(F)F>>Cc1cocc1N(C=CNCCc1cocc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1677	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCc2ccncc2Nc2ccccc2C1)C(F)(F)F>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	1678	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1679	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1cocc1N1CCCc2ncc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1680	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1681	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cocc1Nc1occ(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5
+B-H	1682	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3cocc3OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5Het5
+B-H	1683	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5Het6
+B-H	1684	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het5Phe
+B-H	1685	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6
+B-H	1686	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6Het5
+B-H	1687	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6Het6
+B-H	1688	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_Het6Phe
+B-H	1689	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_PheHet5
+B-H	1690	Cc1cocc1OS(=O)(=O)C(F)(F)F.Nc1cc2cncc(CCc3cocc3OS(=O)(=O)C(F)(F)F)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3OS(=O)(=O)C(F)(F)F)c2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Amine_Primary_PheHet6
+B-H	1691	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCc1ccccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NCc1ccccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.Benzylamine_primary
+B-H	1692	Cc1cocc1OS(=O)(=O)C(F)(F)F.NCc1cnccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1NCc1cnccc1CCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5.HeteroBenzylamine_primary
 B-H	1693	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.NCCNCCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1c(N(CCN)CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	1694	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.CNC=CNCCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1c(N(C)C=CNCCCCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	1695	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.CNC=CNC=CCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>CNC=CN(C=CCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)c1oc2cocc2c1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -1705,7 +1705,7 @@ B-H	1703	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCNC=CNc1ccccc1)
 B-H	1704	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)Cc3ccccc32)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1705	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc32)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1706	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc32)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1707	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Phe
+B-H	1707	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Phe
 B-H	1708	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc3cc2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_PhePhe
 B-H	1709	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)cc2)c2ccncc2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1710	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2)c2ccncc2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1715,11 +1715,11 @@ B-H	1713	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CC1CCc2ccncc2Nc2
 B-H	1714	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)Cc3ccncc32)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1715	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc32)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1716	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc32)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1717	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het5
+B-H	1717	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het5
 B-H	1718	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)occ3c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het5Het5
 B-H	1719	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)ncc3c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het5Het6
 B-H	1720	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc3c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het5Phe
-B-H	1721	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het6
+B-H	1721	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het6
 B-H	1722	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)nc3cocc3c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het6Het5
 B-H	1723	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)ncc3c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het6Het6
 B-H	1724	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4cocc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5cocc45)cc3c2N)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het5.Amine_Primary_Het6Phe
@@ -1741,7 +1741,7 @@ B-H	1739	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CCNC=CNc1ccccc
 B-H	1740	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)Cc3ccccc32)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1741	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc32)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1742	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc32)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1743	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Phe
+B-H	1743	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Phe
 B-H	1744	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc3cc2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_PhePhe
 B-H	1745	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)cc2)c2ccncc2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1746	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2)c2ccncc2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1751,11 +1751,11 @@ B-H	1749	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CC1CCc2ccncc2N
 B-H	1750	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)Cc3ccncc32)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1751	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc32)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1752	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc32)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1753	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het5
+B-H	1753	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het5
 B-H	1754	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)occ3c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het5Het5
 B-H	1755	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)ncc3c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het5Het6
 B-H	1756	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc3c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het5Phe
-B-H	1757	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het6
+B-H	1757	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het6
 B-H	1758	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)nc3cocc3c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het6Het5
 B-H	1759	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)ncc3c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het6Het6
 B-H	1760	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccncc45)cc3c2N)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Het6.Amine_Primary_Het6Phe
@@ -1777,7 +1777,7 @@ B-H	1775	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCNC=CNc1ccccc
 B-H	1776	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)Cc3ccccc32)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1777	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc32)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1778	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc32)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1779	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Phe
+B-H	1779	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Phe
 B-H	1780	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc3cc2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_PhePhe
 B-H	1781	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)cc2)c2ccncc2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1782	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2)c2ccncc2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1787,11 +1787,11 @@ B-H	1785	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CC1CCc2ccncc2N
 B-H	1786	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)Cc3ccncc32)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1787	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc32)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1788	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc32)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1789	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het5
+B-H	1789	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het5
 B-H	1790	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)occ3c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het5Het5
 B-H	1791	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)ncc3c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het5Het6
 B-H	1792	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc3c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het5Phe
-B-H	1793	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het6
+B-H	1793	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het6
 B-H	1794	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)nc3cocc3c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het6Het5
 B-H	1795	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)ncc3c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het6Het6
 B-H	1796	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)cc3c2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_Het6Phe
@@ -1799,42 +1799,42 @@ B-H	1797	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cccc
 B-H	1798	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.Nc1cc2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)oc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(OS(=O)(=O)C(F)(F)F)oc5ccccc45)c3cc2N)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Amine_Primary_PheHet6
 B-H	1799	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.NCc1ccccc1CCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.Benzylamine_primary
 B-H	1800	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.NCc1cnccc1CCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het5Phe.HeteroBenzylamine_primary
-B-H	1801	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCCNCCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1N(CCN)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1802	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CNC=CNCCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1803	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CNC=CNC=CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CNC=CN(C=CCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccncc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1804	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCC1CCCNC1)C(F)(F)F>>Cc1cnccc1N1CCCC(CCc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-B-H	1805	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCC1CC=CNC1)C(F)(F)F>>Cc1cnccc1N1C=CCC(CCc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-B-H	1806	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCC1C=CNC=CC1)C(F)(F)F>>Cc1cnccc1N1C=CCC(CCc2cnccc2OS(=O)(=O)C(F)(F)F)C=C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-B-H	1807	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCCNCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NCCNCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_SaturatedAliphatic
-B-H	1808	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NC=CNCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NC=CNCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_UnsaturatedAliphatic
-B-H	1809	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1ccccc1Nc1ccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
-B-H	1810	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNCCNc1ccccc1)C(F)(F)F>>Cc1cnccc1N(CCNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1811	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNC=CNc1ccccc1)C(F)(F)F>>Cc1cnccc1N(C=CNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1812	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
-B-H	1813	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-B-H	1814	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1815	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Phe
-B-H	1816	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_PhePhe
-B-H	1817	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-B-H	1818	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1819	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNCCNc1ccncc1)C(F)(F)F>>Cc1cnccc1N(CCNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1820	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNC=CNc1ccncc1)C(F)(F)F>>Cc1cnccc1N(C=CNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1821	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1)C(F)(F)F>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-B-H	1822	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-B-H	1823	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-B-H	1824	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1825	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5
-B-H	1826	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3cnccc3OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5Het5
-B-H	1827	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5Het6
-B-H	1828	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5Phe
-B-H	1829	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6
-B-H	1830	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6Het5
-B-H	1831	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6Het6
-B-H	1832	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6Phe
-B-H	1833	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_PheHet5
-B-H	1834	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cc2cncc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)c2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_PheHet6
-B-H	1835	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCc1ccccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Benzylamine_primary
-B-H	1836	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCc1cnccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.HeteroBenzylamine_primary
+B-H	1801	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCCNCCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1N(CCN)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1802	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CNC=CNCCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1803	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CNC=CNC=CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CNC=CN(C=CCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccncc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1804	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCC1CCCNC1)C(F)(F)F>>Cc1cnccc1N1CCCC(CCc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+B-H	1805	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCC1CC=CNC1)C(F)(F)F>>Cc1cnccc1N1C=CCC(CCc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+B-H	1806	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCC1C=CNC=CC1)C(F)(F)F>>Cc1cnccc1N1C=CCC(CCc2cnccc2OS(=O)(=O)C(F)(F)F)C=C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+B-H	1807	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCCNCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NCCNCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_SaturatedAliphatic
+B-H	1808	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NC=CNCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NC=CNCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_UnsaturatedAliphatic
+B-H	1809	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1ccccc1Nc1ccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
+B-H	1810	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNCCNc1ccccc1)C(F)(F)F>>Cc1cnccc1N(CCNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1811	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNC=CNc1ccccc1)C(F)(F)F>>Cc1cnccc1N(C=CNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccccc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1812	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
+B-H	1813	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+B-H	1814	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+B-H	1815	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Phe
+B-H	1816	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_PhePhe
+B-H	1817	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+B-H	1818	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1819	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNCCNc1ccncc1)C(F)(F)F>>Cc1cnccc1N(CCNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1820	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCNC=CNc1ccncc1)C(F)(F)F>>Cc1cnccc1N(C=CNCCc1cnccc1OS(=O)(=O)C(F)(F)F)c1ccncc1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1821	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1)C(F)(F)F>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+B-H	1822	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+B-H	1823	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+B-H	1824	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+B-H	1825	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5
+B-H	1826	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3cnccc3OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5Het5
+B-H	1827	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5Het6
+B-H	1828	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het5Phe
+B-H	1829	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6
+B-H	1830	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6Het5
+B-H	1831	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6Het6
+B-H	1832	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_Het6Phe
+B-H	1833	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2OS(=O)(=O)C(F)(F)F)cc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_PheHet5
+B-H	1834	Cc1cnccc1OS(=O)(=O)C(F)(F)F.Nc1cc2cncc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3OS(=O)(=O)C(F)(F)F)c2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Amine_Primary_PheHet6
+B-H	1835	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCc1ccccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.Benzylamine_primary
+B-H	1836	Cc1cnccc1OS(=O)(=O)C(F)(F)F.NCc1cnccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6.HeteroBenzylamine_primary
 B-H	1837	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.NCCNCCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1nc2cocc2cc1N(CCN)CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 B-H	1838	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.CNC=CNCCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1nc2cocc2cc1N(C)C=CNCCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 B-H	1839	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.CNC=CNC=CCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CNC=CN(C=CCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)c1cc2cocc2nc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -1849,7 +1849,7 @@ B-H	1847	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCNC=CNc1ccccc1)
 B-H	1848	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1nc2cocc2cc1N1c2ccccc2CCC(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1849	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1nc2cocc2cc1N1CCCc2ccc(Cc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1850	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1nc2cocc2cc1N1C=CCc2ccc(Cc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1851	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Phe
+B-H	1851	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Phe
 B-H	1852	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1nc2cocc2cc1Nc1cc2ccc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_PhePhe
 B-H	1853	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.CC(Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1nc2cocc2cc1N(c1ccc(C(C)Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1854	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1>>Cc1nc2cocc2cc1N(c1cncc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1859,11 +1859,11 @@ B-H	1857	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CC1CCc2ccncc2Nc2
 B-H	1858	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1nc2cocc2cc1N1c2ccncc2CCC(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1859	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1nc2cocc2cc1N1CCCc2ncc(Cc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1860	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1nc2cocc2cc1N1C=CCc2ncc(Cc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1861	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het5
+B-H	1861	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het5
 B-H	1862	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1nc2cocc2cc1Nc1oc2c(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het5Het5
 B-H	1863	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1nc2cocc2cc1Nc1oc2cc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het5Het6
 B-H	1864	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1nc2cocc2cc1Nc1oc2ccc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het5Phe
-B-H	1865	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het6
+B-H	1865	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het6
 B-H	1866	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1nc2cocc2cc1Nc1c(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het6Het5
 B-H	1867	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1nc2cocc2cc1Nc1ncc2cc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het6Het6
 B-H	1868	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1nc2cocc2cc1Nc1ncc2ccc(CCc3nc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het5.Amine_Primary_Het6Phe
@@ -1885,7 +1885,7 @@ B-H	1883	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CCNC=CNc1ccc
 B-H	1884	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)Cc3ccccc32)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1885	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc32)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1886	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc32)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1887	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Phe
+B-H	1887	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Phe
 B-H	1888	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc3cc2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_PhePhe
 B-H	1889	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)cc2)c2ccncc2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1890	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2)c2ccncc2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1895,11 +1895,11 @@ B-H	1893	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CC1CCc2ccncc
 B-H	1894	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)Cc3ccncc32)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1895	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc32)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1896	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc32)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1897	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het5
+B-H	1897	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het5
 B-H	1898	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)occ3c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het5Het5
 B-H	1899	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het5Het6
 B-H	1900	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc3c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het5Phe
-B-H	1901	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het6
+B-H	1901	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het6
 B-H	1902	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)nc3cocc3c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het6Het5
 B-H	1903	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het6Het6
 B-H	1904	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccncc45)cc3c2N)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Het6.Amine_Primary_Het6Phe
@@ -1921,7 +1921,7 @@ B-H	1919	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1CCNC=CNc1ccc
 B-H	1920	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)Cc3ccccc32)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1921	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc32)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1922	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc32)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1923	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Phe
+B-H	1923	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Phe
 B-H	1924	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc3cc2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_PhePhe
 B-H	1925	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)cc2)c2ccncc2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1926	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2)c2ccncc2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1931,11 +1931,11 @@ B-H	1929	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1CC1CCc2ccncc
 B-H	1930	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)Cc3ccncc32)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1931	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc32)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1932	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc32)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1933	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het5
+B-H	1933	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het5
 B-H	1934	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)occ3c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het5Het5
 B-H	1935	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het5Het6
 B-H	1936	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc3c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het5Phe
-B-H	1937	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het6
+B-H	1937	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het6
 B-H	1938	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)nc3cocc3c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het6Het5
 B-H	1939	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het6Het6
 B-H	1940	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ncc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ncc5ccccc45)cc3c2N)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_Het6Phe.Amine_Primary_Het6Phe
@@ -1957,7 +1957,7 @@ B-H	1955	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1CCNC=CNc1ccccc1)
 B-H	1956	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1cc2cocc2cc1N1c2ccccc2CCC(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1957	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1cc2cocc2cc1N1CCCc2ccc(Cc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1958	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1cc2cocc2cc1N1C=CCc2ccc(Cc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1959	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Phe
+B-H	1959	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Phe
 B-H	1960	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1cc2cocc2cc1Nc1cc2ccc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_PhePhe
 B-H	1961	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.CC(Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cc2cocc2cc1N(c1ccc(C(C)Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1962	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1>>Cc1cc2cocc2cc1N(c1cncc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -1967,11 +1967,11 @@ B-H	1965	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1CC1CCc2ccncc2Nc2
 B-H	1966	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1cc2cocc2cc1N1c2ccncc2CCC(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	1967	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1cc2cocc2cc1N1CCCc2ncc(Cc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	1968	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1cc2cocc2cc1N1C=CCc2ncc(Cc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	1969	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het5
+B-H	1969	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het5
 B-H	1970	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1cc2cocc2cc1Nc1oc2c(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het5Het5
 B-H	1971	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cc2cocc2cc1Nc1oc2cc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het5Het6
 B-H	1972	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cc2cocc2cc1Nc1oc2ccc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het5Phe
-B-H	1973	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het6
+B-H	1973	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het6
 B-H	1974	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1cc2cocc2cc1Nc1c(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het6Het5
 B-H	1975	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cc2cocc2cc1Nc1ncc2cc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het6Het6
 B-H	1976	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cc2cocc2cc1Nc1ncc2ccc(CCc3cc4cocc4cc3OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet5.Amine_Primary_Het6Phe
@@ -1993,7 +1993,7 @@ B-H	1991	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCNC=CNc1ccc
 B-H	1992	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1)C(F)(F)F>>Cc1c(N2c3ccccc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)Cc3ccccc32)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_CyclicSecondary_Aromatic-Aromatic
 B-H	1993	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc32)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 B-H	1994	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ccc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc32)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-B-H	1995	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Phe
+B-H	1995	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1cccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Phe
 B-H	1996	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1cc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc3cc2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_PhePhe
 B-H	1997	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.CC(Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)cc2)c2ccncc2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 B-H	1998	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2)c2ccncc2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -2003,11 +2003,11 @@ B-H	2001	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CC1CCc2ccncc
 B-H	2002	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1)C(F)(F)F>>Cc1c(N2c3ccncc3CCC(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)Cc3ccncc32)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 B-H	2003	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnc2c(c1)NCCC2)C(F)(F)F>>Cc1c(N2CCCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc32)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 B-H	2004	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnc2c(c1)NC=CC2)C(F)(F)F>>Cc1c(N2C=CCc3ncc(Cc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc32)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Triflate_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-B-H	2005	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het5
+B-H	2005	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1occ(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het5
 B-H	2006	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1oc2c(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)occ3c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het5Het5
 B-H	2007	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1oc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het5Het6
 B-H	2008	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1oc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc3c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het5Phe
-B-H	2009	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het6
+B-H	2009	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1nccc(CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het6
 B-H	2010	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)nc3cocc3c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het6Het5
 B-H	2011	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1ncc2cc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het6Het6
 B-H	2012	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1ncc2ccc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)cc3c2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_Het6Phe
@@ -2015,19 +2015,19 @@ B-H	2013	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3cc
 B-H	2014	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.Nc1cc2cncc(CCc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(OS(=O)(=O)C(F)(F)F)ccc5ccncc45)c3cc2N)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Amine_Primary_PheHet6
 B-H	2015	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.NCc1ccccc1CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12>>Cc1c(NCc2ccccc2CCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.Benzylamine_primary
 B-H	2016	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.NCc1cnccc1CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12>>Cc1c(NCc2cnccc2CCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Triflate_PheHet6.HeteroBenzylamine_primary
-snar_alcohol	2017	Cc1ccccc1Br.OCCCCCc1ccccc1Br>>Cc1ccccc1OCCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PrimaryAlcoholAliphatic
-snar_alcohol	2018	Cc1ccccc1Br.OCc1ccccc1CCc1ccccc1Br>>Cc1ccccc1OCc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PrimaryAlcoholAromatic
-snar_alcohol	2019	Cc1ccccc1Br.CCC(O)CCCCc1ccccc1Br>>CCC(CCCCc1ccccc1Br)Oc1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2020	Cc1ccccc1Br.OC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC12>>Cc1ccccc1OC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2021	Cc1ccccc1Br.OC(c1ccccc1)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1OC(c1ccccc1)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2022	Cc1ccccc1Br.OC1c2ccccc2-c2ccc(Cc3ccccc3Br)cc21>>Cc1ccccc1OC1c2ccccc2c2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2023	Cc1ccccc1Br.CCCC(O)c1ccccc1CCc1ccccc1Br>>CCCC(Oc1ccccc1C)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixAcyclic
-snar_alcohol	2024	Cc1ccccc1Br.OC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC12>>Cc1ccccc1OC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixCyclic
-snar_alcohol	2025	Cc1ccccc1Br.CC(Cc1ccccc1Br)CC(C)(C)O>>Cc1ccccc1OC(C)(C)CC(C)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.TertiaryAlcoholAcyclic
-snar_alcohol	2026	Cc1ccccc1Br.CC1(O)CCCC(Cc2ccccc2Br)C1>>Cc1ccccc1OC1(C)CCCC(Cc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.TertiaryAlcoholCyclic
-snar_alcohol	2027	Cc1ccccc1Br.Oc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.Phenol
-snar_alcohol	2028	Cc1ccccc1Br.Oc1occc1CCc1ccccc1Br>>Cc1ccccc1Oc1occc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic5membered
-snar_alcohol	2029	Cc1ccccc1Br.Oc1ncccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ncccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic6membered
+snar_alcohol	2017	Cc1ccccc1Br.OCCCCCc1ccccc1Br>>Cc1ccccc1OCCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PrimaryAlcoholAliphatic
+snar_alcohol	2018	Cc1ccccc1Br.OCc1ccccc1CCc1ccccc1Br>>Cc1ccccc1OCc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PrimaryAlcoholAromatic
+snar_alcohol	2019	Cc1ccccc1Br.CCC(O)CCCCc1ccccc1Br>>CCC(CCCCc1ccccc1Br)Oc1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2020	Cc1ccccc1Br.OC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC12>>Cc1ccccc1OC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2021	Cc1ccccc1Br.OC(c1ccccc1)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1OC(c1ccccc1)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2022	Cc1ccccc1Br.OC1c2ccccc2-c2ccc(Cc3ccccc3Br)cc21>>Cc1ccccc1OC1c2ccccc2c2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2023	Cc1ccccc1Br.CCCC(O)c1ccccc1CCc1ccccc1Br>>CCCC(Oc1ccccc1C)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixAcyclic
+snar_alcohol	2024	Cc1ccccc1Br.OC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC12>>Cc1ccccc1OC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixCyclic
+snar_alcohol	2025	Cc1ccccc1Br.CC(Cc1ccccc1Br)CC(C)(C)O>>Cc1ccccc1OC(C)(C)CC(C)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.TertiaryAlcoholAcyclic
+snar_alcohol	2026	Cc1ccccc1Br.CC1(O)CCCC(Cc2ccccc2Br)C1>>Cc1ccccc1OC1(C)CCCC(Cc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.TertiaryAlcoholCyclic
+snar_alcohol	2027	Cc1ccccc1Br.Oc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.Phenol
+snar_alcohol	2028	Cc1ccccc1Br.Oc1occc1CCc1ccccc1Br>>Cc1ccccc1Oc1occc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic5membered
+snar_alcohol	2029	Cc1ccccc1Br.Oc1ncccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ncccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic6membered
 snar_alcohol	2030	Cc1c(Br)ccc2ccccc12.OCCCCCc1c(Br)ccc2ccccc12>>Cc1c(OCCCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.PrimaryAlcoholAliphatic
 snar_alcohol	2031	Cc1c(Br)ccc2ccccc12.OCc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(OCc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.PrimaryAlcoholAromatic
 snar_alcohol	2032	Cc1c(Br)ccc2ccccc12.CCC(O)CCCCc1c(Br)ccc2ccccc12>>CCC(CCCCc1c(Br)ccc2ccccc12)Oc1ccc2ccccc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.SecondaryAlcoholAliphaticAcyclic
@@ -2041,19 +2041,19 @@ snar_alcohol	2039	Cc1c(Br)ccc2ccccc12.CC1(O)CCCC(Cc2c(Br)ccc3ccccc23)C1>>Cc1c(OC
 snar_alcohol	2040	Cc1c(Br)ccc2ccccc12.Oc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.Phenol
 snar_alcohol	2041	Cc1c(Br)ccc2ccccc12.Oc1occc1CCc1c(Br)ccc2ccccc12>>Cc1c(Oc2occc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.PhenolHeteroaromatic5membered
 snar_alcohol	2042	Cc1c(Br)ccc2ccccc12.Oc1ncccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.PhenolHeteroaromatic6membered
-snar_alcohol	2043	Cc1ccccc1I.OCCCCCc1ccccc1I>>Cc1ccccc1OCCCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PrimaryAlcoholAliphatic
-snar_alcohol	2044	Cc1ccccc1I.OCc1ccccc1CCc1ccccc1I>>Cc1ccccc1OCc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PrimaryAlcoholAromatic
-snar_alcohol	2045	Cc1ccccc1I.CCC(O)CCCCc1ccccc1I>>CCC(CCCCc1ccccc1I)Oc1ccccc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2046	Cc1ccccc1I.OC1C2CCCCC2C2CCC(Cc3ccccc3I)CC12>>Cc1ccccc1OC1C2CCCCC2C2CCC(Cc3ccccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2047	Cc1ccccc1I.OC(c1ccccc1)c1ccccc1CCc1ccccc1I>>Cc1ccccc1OC(c1ccccc1)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2048	Cc1ccccc1I.OC1c2ccccc2-c2ccc(Cc3ccccc3I)cc21>>Cc1ccccc1OC1c2ccccc2c2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2049	Cc1ccccc1I.CCCC(O)c1ccccc1CCc1ccccc1I>>CCCC(Oc1ccccc1C)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholMixAcyclic
-snar_alcohol	2050	Cc1ccccc1I.OC1c2cc(Cc3ccccc3I)ccc2C2CCCCC12>>Cc1ccccc1OC1c2cc(Cc3ccccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholMixCyclic
-snar_alcohol	2051	Cc1ccccc1I.CC(Cc1ccccc1I)CC(C)(C)O>>Cc1ccccc1OC(C)(C)CC(C)Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.TertiaryAlcoholAcyclic
-snar_alcohol	2052	Cc1ccccc1I.CC1(O)CCCC(Cc2ccccc2I)C1>>Cc1ccccc1OC1(C)CCCC(Cc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.TertiaryAlcoholCyclic
-snar_alcohol	2053	Cc1ccccc1I.Oc1ccccc1CCc1ccccc1I>>Cc1ccccc1Oc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.Phenol
-snar_alcohol	2054	Cc1ccccc1I.Oc1occc1CCc1ccccc1I>>Cc1ccccc1Oc1occc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic5membered
-snar_alcohol	2055	Cc1ccccc1I.Oc1ncccc1CCc1ccccc1I>>Cc1ccccc1Oc1ncccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic6membered
+snar_alcohol	2043	Cc1ccccc1I.OCCCCCc1ccccc1I>>Cc1ccccc1OCCCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PrimaryAlcoholAliphatic
+snar_alcohol	2044	Cc1ccccc1I.OCc1ccccc1CCc1ccccc1I>>Cc1ccccc1OCc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PrimaryAlcoholAromatic
+snar_alcohol	2045	Cc1ccccc1I.CCC(O)CCCCc1ccccc1I>>CCC(CCCCc1ccccc1I)Oc1ccccc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2046	Cc1ccccc1I.OC1C2CCCCC2C2CCC(Cc3ccccc3I)CC12>>Cc1ccccc1OC1C2CCCCC2C2CCC(Cc3ccccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2047	Cc1ccccc1I.OC(c1ccccc1)c1ccccc1CCc1ccccc1I>>Cc1ccccc1OC(c1ccccc1)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2048	Cc1ccccc1I.OC1c2ccccc2-c2ccc(Cc3ccccc3I)cc21>>Cc1ccccc1OC1c2ccccc2c2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2049	Cc1ccccc1I.CCCC(O)c1ccccc1CCc1ccccc1I>>CCCC(Oc1ccccc1C)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholMixAcyclic
+snar_alcohol	2050	Cc1ccccc1I.OC1c2cc(Cc3ccccc3I)ccc2C2CCCCC12>>Cc1ccccc1OC1c2cc(Cc3ccccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.SecondaryAlcoholMixCyclic
+snar_alcohol	2051	Cc1ccccc1I.CC(Cc1ccccc1I)CC(C)(C)O>>Cc1ccccc1OC(C)(C)CC(C)Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.TertiaryAlcoholAcyclic
+snar_alcohol	2052	Cc1ccccc1I.CC1(O)CCCC(Cc2ccccc2I)C1>>Cc1ccccc1OC1(C)CCCC(Cc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.TertiaryAlcoholCyclic
+snar_alcohol	2053	Cc1ccccc1I.Oc1ccccc1CCc1ccccc1I>>Cc1ccccc1Oc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.Phenol
+snar_alcohol	2054	Cc1ccccc1I.Oc1occc1CCc1ccccc1I>>Cc1ccccc1Oc1occc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic5membered
+snar_alcohol	2055	Cc1ccccc1I.Oc1ncccc1CCc1ccccc1I>>Cc1ccccc1Oc1ncccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic6membered
 snar_alcohol	2056	Cc1c(I)ccc2ccccc12.OCCCCCc1c(I)ccc2ccccc12>>Cc1c(OCCCCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.PrimaryAlcoholAliphatic
 snar_alcohol	2057	Cc1c(I)ccc2ccccc12.OCc1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(OCc2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.PrimaryAlcoholAromatic
 snar_alcohol	2058	Cc1c(I)ccc2ccccc12.CCC(O)CCCCc1c(I)ccc2ccccc12>>CCC(CCCCc1c(I)ccc2ccccc12)Oc1ccc2ccccc2c1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.SecondaryAlcoholAliphaticAcyclic
@@ -2067,19 +2067,19 @@ snar_alcohol	2065	Cc1c(I)ccc2ccccc12.CC1(O)CCCC(Cc2c(I)ccc3ccccc23)C1>>Cc1c(OC2(
 snar_alcohol	2066	Cc1c(I)ccc2ccccc12.Oc1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.Phenol
 snar_alcohol	2067	Cc1c(I)ccc2ccccc12.Oc1occc1CCc1c(I)ccc2ccccc12>>Cc1c(Oc2occc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.PhenolHeteroaromatic5membered
 snar_alcohol	2068	Cc1c(I)ccc2ccccc12.Oc1ncccc1CCc1c(I)ccc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.PhenolHeteroaromatic6membered
-snar_alcohol	2069	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCCCCO)c1)C(F)(F)F>>Cc1cccc(OCCCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PrimaryAlcoholAliphatic
-snar_alcohol	2070	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2CO)c1)C(F)(F)F>>Cc1cccc(OCc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PrimaryAlcoholAromatic
-snar_alcohol	2071	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCC(O)CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCC(CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1)Oc1cccc(C)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2072	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCC3C(C2)C(O)C2CCCCC23)c1)C(F)(F)F>>Cc1cccc(OC2C3CCCCC3C3CCC(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)CC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2073	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2C(O)c2ccccc2)c1)C(F)(F)F>>Cc1cccc(OC(c2ccccc2)c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2074	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(O)c2ccccc2-3)c1)C(F)(F)F>>Cc1cccc(OC2c3ccccc3c3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2075	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCCC(O)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCC(Oc1cccc(C)c1)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholMixAcyclic
-snar_alcohol	2076	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(O)C2CCCCC32)c1)C(F)(F)F>>Cc1cccc(OC2c3cc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)ccc3C3CCCCC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholMixCyclic
-snar_alcohol	2077	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)CC(C)(C)O>>Cc1cccc(OC(C)(C)CC(C)Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.TertiaryAlcoholAcyclic
-snar_alcohol	2078	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(O)CCCC(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)C1>>Cc1cccc(OC2(C)CCCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.TertiaryAlcoholCyclic
-snar_alcohol	2079	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.Phenol
-snar_alcohol	2080	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccoc2O)c1)C(F)(F)F>>Cc1cccc(Oc2occc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic5membered
-snar_alcohol	2081	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cccnc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ncccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic6membered
+snar_alcohol	2069	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCCCCO)c1)C(F)(F)F>>Cc1cccc(OCCCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PrimaryAlcoholAliphatic
+snar_alcohol	2070	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2CO)c1)C(F)(F)F>>Cc1cccc(OCc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PrimaryAlcoholAromatic
+snar_alcohol	2071	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCC(O)CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCC(CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1)Oc1cccc(C)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2072	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCC3C(C2)C(O)C2CCCCC23)c1)C(F)(F)F>>Cc1cccc(OC2C3CCCCC3C3CCC(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)CC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2073	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2C(O)c2ccccc2)c1)C(F)(F)F>>Cc1cccc(OC(c2ccccc2)c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2074	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(O)c2ccccc2-3)c1)C(F)(F)F>>Cc1cccc(OC2c3ccccc3c3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2075	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCCC(O)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCC(Oc1cccc(C)c1)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholMixAcyclic
+snar_alcohol	2076	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(O)C2CCCCC32)c1)C(F)(F)F>>Cc1cccc(OC2c3cc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)ccc3C3CCCCC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.SecondaryAlcoholMixCyclic
+snar_alcohol	2077	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)CC(C)(C)O>>Cc1cccc(OC(C)(C)CC(C)Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.TertiaryAlcoholAcyclic
+snar_alcohol	2078	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(O)CCCC(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)C1>>Cc1cccc(OC2(C)CCCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.TertiaryAlcoholCyclic
+snar_alcohol	2079	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.Phenol
+snar_alcohol	2080	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccoc2O)c1)C(F)(F)F>>Cc1cccc(Oc2occc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic5membered
+snar_alcohol	2081	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cccnc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ncccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic6membered
 snar_alcohol	2082	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCCCCO)C(F)(F)F>>Cc1c(OCCCCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.PrimaryAlcoholAliphatic
 snar_alcohol	2083	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1CO)C(F)(F)F>>Cc1c(OCc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.PrimaryAlcoholAromatic
 snar_alcohol	2084	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CCC(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>CCC(CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)Oc1ccc2ccccc2c1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.SecondaryAlcoholAliphaticAcyclic
@@ -2093,19 +2093,19 @@ snar_alcohol	2091	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CC1(O)CCCC(Cc2c(OS(=O)(=O)
 snar_alcohol	2092	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1O)C(F)(F)F>>Cc1c(Oc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.Phenol
 snar_alcohol	2093	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccoc1O)C(F)(F)F>>Cc1c(Oc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.PhenolHeteroaromatic5membered
 snar_alcohol	2094	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1cccnc1O)C(F)(F)F>>Cc1c(Oc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.PhenolHeteroaromatic6membered
-snar_alcohol	2095	Cc1cocc1Br.OCCCCCc1cocc1Br>>Cc1cocc1OCCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PrimaryAlcoholAliphatic
-snar_alcohol	2096	Cc1cocc1Br.OCc1ccccc1CCc1cocc1Br>>Cc1cocc1OCc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PrimaryAlcoholAromatic
-snar_alcohol	2097	Cc1cocc1Br.CCC(O)CCCCc1cocc1Br>>CCC(CCCCc1cocc1Br)Oc1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2098	Cc1cocc1Br.OC1C2CCCCC2C2CCC(Cc3cocc3Br)CC12>>Cc1cocc1OC1C2CCCCC2C2CCC(Cc3cocc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2099	Cc1cocc1Br.OC(c1ccccc1)c1ccccc1CCc1cocc1Br>>Cc1cocc1OC(c1ccccc1)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2100	Cc1cocc1Br.OC1c2ccccc2-c2ccc(Cc3cocc3Br)cc21>>Cc1cocc1OC1c2ccccc2c2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2101	Cc1cocc1Br.CCCC(O)c1ccccc1CCc1cocc1Br>>CCCC(Oc1cocc1C)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixAcyclic
-snar_alcohol	2102	Cc1cocc1Br.OC1c2cc(Cc3cocc3Br)ccc2C2CCCCC12>>Cc1cocc1OC1c2cc(Cc3cocc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixCyclic
-snar_alcohol	2103	Cc1cocc1Br.CC(Cc1cocc1Br)CC(C)(C)O>>Cc1cocc1OC(C)(C)CC(C)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.TertiaryAlcoholAcyclic
-snar_alcohol	2104	Cc1cocc1Br.CC1(O)CCCC(Cc2cocc2Br)C1>>Cc1cocc1OC1(C)CCCC(Cc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.TertiaryAlcoholCyclic
-snar_alcohol	2105	Cc1cocc1Br.Oc1ccccc1CCc1cocc1Br>>Cc1cocc1Oc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.Phenol
-snar_alcohol	2106	Cc1cocc1Br.Oc1occc1CCc1cocc1Br>>Cc1cocc1Oc1occc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic5membered
-snar_alcohol	2107	Cc1cocc1Br.Oc1ncccc1CCc1cocc1Br>>Cc1cocc1Oc1ncccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic6membered
+snar_alcohol	2095	Cc1cocc1Br.OCCCCCc1cocc1Br>>Cc1cocc1OCCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PrimaryAlcoholAliphatic
+snar_alcohol	2096	Cc1cocc1Br.OCc1ccccc1CCc1cocc1Br>>Cc1cocc1OCc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PrimaryAlcoholAromatic
+snar_alcohol	2097	Cc1cocc1Br.CCC(O)CCCCc1cocc1Br>>CCC(CCCCc1cocc1Br)Oc1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2098	Cc1cocc1Br.OC1C2CCCCC2C2CCC(Cc3cocc3Br)CC12>>Cc1cocc1OC1C2CCCCC2C2CCC(Cc3cocc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2099	Cc1cocc1Br.OC(c1ccccc1)c1ccccc1CCc1cocc1Br>>Cc1cocc1OC(c1ccccc1)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2100	Cc1cocc1Br.OC1c2ccccc2-c2ccc(Cc3cocc3Br)cc21>>Cc1cocc1OC1c2ccccc2c2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2101	Cc1cocc1Br.CCCC(O)c1ccccc1CCc1cocc1Br>>CCCC(Oc1cocc1C)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixAcyclic
+snar_alcohol	2102	Cc1cocc1Br.OC1c2cc(Cc3cocc3Br)ccc2C2CCCCC12>>Cc1cocc1OC1c2cc(Cc3cocc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixCyclic
+snar_alcohol	2103	Cc1cocc1Br.CC(Cc1cocc1Br)CC(C)(C)O>>Cc1cocc1OC(C)(C)CC(C)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.TertiaryAlcoholAcyclic
+snar_alcohol	2104	Cc1cocc1Br.CC1(O)CCCC(Cc2cocc2Br)C1>>Cc1cocc1OC1(C)CCCC(Cc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.TertiaryAlcoholCyclic
+snar_alcohol	2105	Cc1cocc1Br.Oc1ccccc1CCc1cocc1Br>>Cc1cocc1Oc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.Phenol
+snar_alcohol	2106	Cc1cocc1Br.Oc1occc1CCc1cocc1Br>>Cc1cocc1Oc1occc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic5membered
+snar_alcohol	2107	Cc1cocc1Br.Oc1ncccc1CCc1cocc1Br>>Cc1cocc1Oc1ncccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic6membered
 snar_alcohol	2108	Cc1c(Br)oc2cocc12.OCCCCCc1c(Br)oc2cocc12>>Cc1c(OCCCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Het5.PrimaryAlcoholAliphatic
 snar_alcohol	2109	Cc1c(Br)oc2cocc12.OCc1ccccc1CCc1c(Br)oc2cocc12>>Cc1c(OCc2ccccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Het5.PrimaryAlcoholAromatic
 snar_alcohol	2110	Cc1c(Br)oc2cocc12.CCC(O)CCCCc1c(Br)oc2cocc12>>CCC(CCCCc1c(Br)oc2cocc12)Oc1oc2cocc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Het5.SecondaryAlcoholAliphaticAcyclic
@@ -2145,19 +2145,19 @@ snar_alcohol	2143	Cc1c(Br)oc2ccccc12.CC1(O)CCCC(Cc2c(Br)oc3ccccc23)C1>>Cc1c(OC2(
 snar_alcohol	2144	Cc1c(Br)oc2ccccc12.Oc1ccccc1CCc1c(Br)oc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Phe.Phenol
 snar_alcohol	2145	Cc1c(Br)oc2ccccc12.Oc1occc1CCc1c(Br)oc2ccccc12>>Cc1c(Oc2occc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Phe.PhenolHeteroaromatic5membered
 snar_alcohol	2146	Cc1c(Br)oc2ccccc12.Oc1ncccc1CCc1c(Br)oc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Phe.PhenolHeteroaromatic6membered
-snar_alcohol	2147	Cc1cnccc1Br.OCCCCCc1cnccc1Br>>Cc1cnccc1OCCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PrimaryAlcoholAliphatic
-snar_alcohol	2148	Cc1cnccc1Br.OCc1ccccc1CCc1cnccc1Br>>Cc1cnccc1OCc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PrimaryAlcoholAromatic
-snar_alcohol	2149	Cc1cnccc1Br.CCC(O)CCCCc1cnccc1Br>>CCC(CCCCc1cnccc1Br)Oc1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2150	Cc1cnccc1Br.OC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC12>>Cc1cnccc1OC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2151	Cc1cnccc1Br.OC(c1ccccc1)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1OC(c1ccccc1)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2152	Cc1cnccc1Br.OC1c2ccccc2-c2ccc(Cc3cnccc3Br)cc21>>Cc1cnccc1OC1c2ccccc2c2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2153	Cc1cnccc1Br.CCCC(O)c1ccccc1CCc1cnccc1Br>>CCCC(Oc1ccncc1C)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixAcyclic
-snar_alcohol	2154	Cc1cnccc1Br.OC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC12>>Cc1cnccc1OC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixCyclic
-snar_alcohol	2155	Cc1cnccc1Br.CC(Cc1cnccc1Br)CC(C)(C)O>>Cc1cnccc1OC(C)(C)CC(C)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.TertiaryAlcoholAcyclic
-snar_alcohol	2156	Cc1cnccc1Br.CC1(O)CCCC(Cc2cnccc2Br)C1>>Cc1cnccc1OC1(C)CCCC(Cc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.TertiaryAlcoholCyclic
-snar_alcohol	2157	Cc1cnccc1Br.Oc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.Phenol
-snar_alcohol	2158	Cc1cnccc1Br.Oc1occc1CCc1cnccc1Br>>Cc1cnccc1Oc1occc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic5membered
-snar_alcohol	2159	Cc1cnccc1Br.Oc1ncccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ncccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic6membered
+snar_alcohol	2147	Cc1cnccc1Br.OCCCCCc1cnccc1Br>>Cc1cnccc1OCCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PrimaryAlcoholAliphatic
+snar_alcohol	2148	Cc1cnccc1Br.OCc1ccccc1CCc1cnccc1Br>>Cc1cnccc1OCc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PrimaryAlcoholAromatic
+snar_alcohol	2149	Cc1cnccc1Br.CCC(O)CCCCc1cnccc1Br>>CCC(CCCCc1cnccc1Br)Oc1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2150	Cc1cnccc1Br.OC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC12>>Cc1cnccc1OC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2151	Cc1cnccc1Br.OC(c1ccccc1)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1OC(c1ccccc1)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2152	Cc1cnccc1Br.OC1c2ccccc2-c2ccc(Cc3cnccc3Br)cc21>>Cc1cnccc1OC1c2ccccc2c2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2153	Cc1cnccc1Br.CCCC(O)c1ccccc1CCc1cnccc1Br>>CCCC(Oc1ccncc1C)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixAcyclic
+snar_alcohol	2154	Cc1cnccc1Br.OC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC12>>Cc1cnccc1OC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixCyclic
+snar_alcohol	2155	Cc1cnccc1Br.CC(Cc1cnccc1Br)CC(C)(C)O>>Cc1cnccc1OC(C)(C)CC(C)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.TertiaryAlcoholAcyclic
+snar_alcohol	2156	Cc1cnccc1Br.CC1(O)CCCC(Cc2cnccc2Br)C1>>Cc1cnccc1OC1(C)CCCC(Cc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.TertiaryAlcoholCyclic
+snar_alcohol	2157	Cc1cnccc1Br.Oc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.Phenol
+snar_alcohol	2158	Cc1cnccc1Br.Oc1occc1CCc1cnccc1Br>>Cc1cnccc1Oc1occc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic5membered
+snar_alcohol	2159	Cc1cnccc1Br.Oc1ncccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ncccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic6membered
 snar_alcohol	2160	Cc1nc2cocc2cc1Br.OCCCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1OCCCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6Het5.PrimaryAlcoholAliphatic
 snar_alcohol	2161	Cc1nc2cocc2cc1Br.OCc1ccccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1OCc1ccccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6Het5.PrimaryAlcoholAromatic
 snar_alcohol	2162	Cc1nc2cocc2cc1Br.CCC(O)CCCCc1nc2cocc2cc1Br>>CCC(CCCCc1nc2cocc2cc1Br)Oc1cc2cocc2nc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6Het5.SecondaryAlcoholAliphaticAcyclic
@@ -2223,19 +2223,19 @@ snar_alcohol	2221	CCc1c(Br)ccc2ccncc12.CC1(O)CCCC(CCc2c(Br)ccc3ccncc23)C1>>CCc1c
 snar_alcohol	2222	CCc1c(Br)ccc2ccncc12.Oc1ccccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Oc2ccccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PheHet6.Phenol
 snar_alcohol	2223	CCc1c(Br)ccc2ccncc12.Oc1occc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Oc2occc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PheHet6.PhenolHeteroaromatic5membered
 snar_alcohol	2224	CCc1c(Br)ccc2ccncc12.Oc1ncccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Oc2ncccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PheHet6.PhenolHeteroaromatic6membered
-snar_alcohol	2225	Cc1cocc1I.OCCCCCc1cocc1I>>Cc1cocc1OCCCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PrimaryAlcoholAliphatic
-snar_alcohol	2226	Cc1cocc1I.OCc1ccccc1CCc1cocc1I>>Cc1cocc1OCc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PrimaryAlcoholAromatic
-snar_alcohol	2227	Cc1cocc1I.CCC(O)CCCCc1cocc1I>>CCC(CCCCc1cocc1I)Oc1cocc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2228	Cc1cocc1I.OC1C2CCCCC2C2CCC(Cc3cocc3I)CC12>>Cc1cocc1OC1C2CCCCC2C2CCC(Cc3cocc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2229	Cc1cocc1I.OC(c1ccccc1)c1ccccc1CCc1cocc1I>>Cc1cocc1OC(c1ccccc1)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2230	Cc1cocc1I.OC1c2ccccc2-c2ccc(Cc3cocc3I)cc21>>Cc1cocc1OC1c2ccccc2c2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2231	Cc1cocc1I.CCCC(O)c1ccccc1CCc1cocc1I>>CCCC(Oc1cocc1C)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholMixAcyclic
-snar_alcohol	2232	Cc1cocc1I.OC1c2cc(Cc3cocc3I)ccc2C2CCCCC12>>Cc1cocc1OC1c2cc(Cc3cocc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholMixCyclic
-snar_alcohol	2233	Cc1cocc1I.CC(Cc1cocc1I)CC(C)(C)O>>Cc1cocc1OC(C)(C)CC(C)Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.TertiaryAlcoholAcyclic
-snar_alcohol	2234	Cc1cocc1I.CC1(O)CCCC(Cc2cocc2I)C1>>Cc1cocc1OC1(C)CCCC(Cc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.TertiaryAlcoholCyclic
-snar_alcohol	2235	Cc1cocc1I.Oc1ccccc1CCc1cocc1I>>Cc1cocc1Oc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.Phenol
-snar_alcohol	2236	Cc1cocc1I.Oc1occc1CCc1cocc1I>>Cc1cocc1Oc1occc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic5membered
-snar_alcohol	2237	Cc1cocc1I.Oc1ncccc1CCc1cocc1I>>Cc1cocc1Oc1ncccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic6membered
+snar_alcohol	2225	Cc1cocc1I.OCCCCCc1cocc1I>>Cc1cocc1OCCCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PrimaryAlcoholAliphatic
+snar_alcohol	2226	Cc1cocc1I.OCc1ccccc1CCc1cocc1I>>Cc1cocc1OCc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PrimaryAlcoholAromatic
+snar_alcohol	2227	Cc1cocc1I.CCC(O)CCCCc1cocc1I>>CCC(CCCCc1cocc1I)Oc1cocc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2228	Cc1cocc1I.OC1C2CCCCC2C2CCC(Cc3cocc3I)CC12>>Cc1cocc1OC1C2CCCCC2C2CCC(Cc3cocc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2229	Cc1cocc1I.OC(c1ccccc1)c1ccccc1CCc1cocc1I>>Cc1cocc1OC(c1ccccc1)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2230	Cc1cocc1I.OC1c2ccccc2-c2ccc(Cc3cocc3I)cc21>>Cc1cocc1OC1c2ccccc2c2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2231	Cc1cocc1I.CCCC(O)c1ccccc1CCc1cocc1I>>CCCC(Oc1cocc1C)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholMixAcyclic
+snar_alcohol	2232	Cc1cocc1I.OC1c2cc(Cc3cocc3I)ccc2C2CCCCC12>>Cc1cocc1OC1c2cc(Cc3cocc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.SecondaryAlcoholMixCyclic
+snar_alcohol	2233	Cc1cocc1I.CC(Cc1cocc1I)CC(C)(C)O>>Cc1cocc1OC(C)(C)CC(C)Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.TertiaryAlcoholAcyclic
+snar_alcohol	2234	Cc1cocc1I.CC1(O)CCCC(Cc2cocc2I)C1>>Cc1cocc1OC1(C)CCCC(Cc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.TertiaryAlcoholCyclic
+snar_alcohol	2235	Cc1cocc1I.Oc1ccccc1CCc1cocc1I>>Cc1cocc1Oc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.Phenol
+snar_alcohol	2236	Cc1cocc1I.Oc1occc1CCc1cocc1I>>Cc1cocc1Oc1occc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic5membered
+snar_alcohol	2237	Cc1cocc1I.Oc1ncccc1CCc1cocc1I>>Cc1cocc1Oc1ncccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic6membered
 snar_alcohol	2238	Cc1c(I)oc2cocc12.OCCCCCc1c(I)oc2cocc12>>Cc1c(OCCCCCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Het5.PrimaryAlcoholAliphatic
 snar_alcohol	2239	Cc1c(I)oc2cocc12.OCc1ccccc1CCc1c(I)oc2cocc12>>Cc1c(OCc2ccccc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Het5.PrimaryAlcoholAromatic
 snar_alcohol	2240	Cc1c(I)oc2cocc12.CCC(O)CCCCc1c(I)oc2cocc12>>CCC(CCCCc1c(I)oc2cocc12)Oc1oc2cocc2c1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Het5.SecondaryAlcoholAliphaticAcyclic
@@ -2275,19 +2275,19 @@ snar_alcohol	2273	Cc1c(I)oc2ccccc12.CC1(O)CCCC(Cc2c(I)oc3ccccc23)C1>>Cc1c(OC2(C)
 snar_alcohol	2274	Cc1c(I)oc2ccccc12.Oc1ccccc1CCc1c(I)oc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Phe.Phenol
 snar_alcohol	2275	Cc1c(I)oc2ccccc12.Oc1occc1CCc1c(I)oc2ccccc12>>Cc1c(Oc2occc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Phe.PhenolHeteroaromatic5membered
 snar_alcohol	2276	Cc1c(I)oc2ccccc12.Oc1ncccc1CCc1c(I)oc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Phe.PhenolHeteroaromatic6membered
-snar_alcohol	2277	Cc1cnccc1I.OCCCCCc1cnccc1I>>Cc1cnccc1OCCCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PrimaryAlcoholAliphatic
-snar_alcohol	2278	Cc1cnccc1I.OCc1ccccc1CCc1cnccc1I>>Cc1cnccc1OCc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PrimaryAlcoholAromatic
-snar_alcohol	2279	Cc1cnccc1I.CCC(O)CCCCc1cnccc1I>>CCC(CCCCc1cnccc1I)Oc1ccncc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2280	Cc1cnccc1I.OC1C2CCCCC2C2CCC(Cc3cnccc3I)CC12>>Cc1cnccc1OC1C2CCCCC2C2CCC(Cc3cnccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2281	Cc1cnccc1I.OC(c1ccccc1)c1ccccc1CCc1cnccc1I>>Cc1cnccc1OC(c1ccccc1)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2282	Cc1cnccc1I.OC1c2ccccc2-c2ccc(Cc3cnccc3I)cc21>>Cc1cnccc1OC1c2ccccc2c2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2283	Cc1cnccc1I.CCCC(O)c1ccccc1CCc1cnccc1I>>CCCC(Oc1ccncc1C)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholMixAcyclic
-snar_alcohol	2284	Cc1cnccc1I.OC1c2cc(Cc3cnccc3I)ccc2C2CCCCC12>>Cc1cnccc1OC1c2cc(Cc3cnccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholMixCyclic
-snar_alcohol	2285	Cc1cnccc1I.CC(Cc1cnccc1I)CC(C)(C)O>>Cc1cnccc1OC(C)(C)CC(C)Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.TertiaryAlcoholAcyclic
-snar_alcohol	2286	Cc1cnccc1I.CC1(O)CCCC(Cc2cnccc2I)C1>>Cc1cnccc1OC1(C)CCCC(Cc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.TertiaryAlcoholCyclic
-snar_alcohol	2287	Cc1cnccc1I.Oc1ccccc1CCc1cnccc1I>>Cc1cnccc1Oc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.Phenol
-snar_alcohol	2288	Cc1cnccc1I.Oc1occc1CCc1cnccc1I>>Cc1cnccc1Oc1occc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic5membered
-snar_alcohol	2289	Cc1cnccc1I.Oc1ncccc1CCc1cnccc1I>>Cc1cnccc1Oc1ncccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic6membered
+snar_alcohol	2277	Cc1cnccc1I.OCCCCCc1cnccc1I>>Cc1cnccc1OCCCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PrimaryAlcoholAliphatic
+snar_alcohol	2278	Cc1cnccc1I.OCc1ccccc1CCc1cnccc1I>>Cc1cnccc1OCc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PrimaryAlcoholAromatic
+snar_alcohol	2279	Cc1cnccc1I.CCC(O)CCCCc1cnccc1I>>CCC(CCCCc1cnccc1I)Oc1ccncc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2280	Cc1cnccc1I.OC1C2CCCCC2C2CCC(Cc3cnccc3I)CC12>>Cc1cnccc1OC1C2CCCCC2C2CCC(Cc3cnccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2281	Cc1cnccc1I.OC(c1ccccc1)c1ccccc1CCc1cnccc1I>>Cc1cnccc1OC(c1ccccc1)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2282	Cc1cnccc1I.OC1c2ccccc2-c2ccc(Cc3cnccc3I)cc21>>Cc1cnccc1OC1c2ccccc2c2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2283	Cc1cnccc1I.CCCC(O)c1ccccc1CCc1cnccc1I>>CCCC(Oc1ccncc1C)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholMixAcyclic
+snar_alcohol	2284	Cc1cnccc1I.OC1c2cc(Cc3cnccc3I)ccc2C2CCCCC12>>Cc1cnccc1OC1c2cc(Cc3cnccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.SecondaryAlcoholMixCyclic
+snar_alcohol	2285	Cc1cnccc1I.CC(Cc1cnccc1I)CC(C)(C)O>>Cc1cnccc1OC(C)(C)CC(C)Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.TertiaryAlcoholAcyclic
+snar_alcohol	2286	Cc1cnccc1I.CC1(O)CCCC(Cc2cnccc2I)C1>>Cc1cnccc1OC1(C)CCCC(Cc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.TertiaryAlcoholCyclic
+snar_alcohol	2287	Cc1cnccc1I.Oc1ccccc1CCc1cnccc1I>>Cc1cnccc1Oc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.Phenol
+snar_alcohol	2288	Cc1cnccc1I.Oc1occc1CCc1cnccc1I>>Cc1cnccc1Oc1occc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic5membered
+snar_alcohol	2289	Cc1cnccc1I.Oc1ncccc1CCc1cnccc1I>>Cc1cnccc1Oc1ncccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic6membered
 snar_alcohol	2290	Cc1nc2cocc2cc1I.OCCCCCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1OCCCCCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6Het5.PrimaryAlcoholAliphatic
 snar_alcohol	2291	Cc1nc2cocc2cc1I.OCc1ccccc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1OCc1ccccc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6Het5.PrimaryAlcoholAromatic
 snar_alcohol	2292	Cc1nc2cocc2cc1I.CCC(O)CCCCc1nc2cocc2cc1I>>CCC(CCCCc1nc2cocc2cc1I)Oc1cc2cocc2nc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6Het5.SecondaryAlcoholAliphaticAcyclic
@@ -2353,19 +2353,19 @@ snar_alcohol	2351	CCc1c(I)ccc2ccncc12.CC1(O)CCCC(CCc2c(I)ccc3ccncc23)C1>>CCc1c(O
 snar_alcohol	2352	CCc1c(I)ccc2ccncc12.Oc1ccccc1CCCc1c(I)ccc2ccncc12>>CCc1c(Oc2ccccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PheHet6.Phenol
 snar_alcohol	2353	CCc1c(I)ccc2ccncc12.Oc1occc1CCCc1c(I)ccc2ccncc12>>CCc1c(Oc2occc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PheHet6.PhenolHeteroaromatic5membered
 snar_alcohol	2354	CCc1c(I)ccc2ccncc12.Oc1ncccc1CCCc1c(I)ccc2ccncc12>>CCc1c(Oc2ncccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PheHet6.PhenolHeteroaromatic6membered
-snar_alcohol	2355	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCCCCO)C(F)(F)F>>Cc1cocc1OCCCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PrimaryAlcoholAliphatic
-snar_alcohol	2356	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1CO)C(F)(F)F>>Cc1cocc1OCc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PrimaryAlcoholAromatic
-snar_alcohol	2357	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCC(O)CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cocc1OS(=O)(=O)C(F)(F)F)Oc1cocc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2358	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCC2C(C1)C(O)C1CCCCC12)C(F)(F)F>>Cc1cocc1OC1C2CCCCC2C2CCC(Cc3cocc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2359	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1C(O)c1ccccc1)C(F)(F)F>>Cc1cocc1OC(c1ccccc1)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2360	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(O)c1ccccc1-2)C(F)(F)F>>Cc1cocc1OC1c2ccccc2c2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2361	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCCC(O)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCC(Oc1cocc1C)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholMixAcyclic
-snar_alcohol	2362	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(O)C1CCCCC21)C(F)(F)F>>Cc1cocc1OC1c2cc(Cc3cocc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholMixCyclic
-snar_alcohol	2363	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC(Cc1cocc1OS(=O)(=O)C(F)(F)F)CC(C)(C)O>>Cc1cocc1OC(C)(C)CC(C)Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.TertiaryAlcoholAcyclic
-snar_alcohol	2364	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(O)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cocc1OC1(C)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.TertiaryAlcoholCyclic
-snar_alcohol	2365	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1O)C(F)(F)F>>Cc1cocc1Oc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.Phenol
-snar_alcohol	2366	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccoc1O)C(F)(F)F>>Cc1cocc1Oc1occc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic5membered
-snar_alcohol	2367	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cccnc1O)C(F)(F)F>>Cc1cocc1Oc1ncccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic6membered
+snar_alcohol	2355	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCCCCO)C(F)(F)F>>Cc1cocc1OCCCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PrimaryAlcoholAliphatic
+snar_alcohol	2356	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1CO)C(F)(F)F>>Cc1cocc1OCc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PrimaryAlcoholAromatic
+snar_alcohol	2357	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCC(O)CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cocc1OS(=O)(=O)C(F)(F)F)Oc1cocc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2358	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCC2C(C1)C(O)C1CCCCC12)C(F)(F)F>>Cc1cocc1OC1C2CCCCC2C2CCC(Cc3cocc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2359	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1C(O)c1ccccc1)C(F)(F)F>>Cc1cocc1OC(c1ccccc1)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2360	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(O)c1ccccc1-2)C(F)(F)F>>Cc1cocc1OC1c2ccccc2c2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2361	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCCC(O)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCC(Oc1cocc1C)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholMixAcyclic
+snar_alcohol	2362	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(O)C1CCCCC21)C(F)(F)F>>Cc1cocc1OC1c2cc(Cc3cocc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.SecondaryAlcoholMixCyclic
+snar_alcohol	2363	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC(Cc1cocc1OS(=O)(=O)C(F)(F)F)CC(C)(C)O>>Cc1cocc1OC(C)(C)CC(C)Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.TertiaryAlcoholAcyclic
+snar_alcohol	2364	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(O)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cocc1OC1(C)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.TertiaryAlcoholCyclic
+snar_alcohol	2365	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1O)C(F)(F)F>>Cc1cocc1Oc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.Phenol
+snar_alcohol	2366	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccoc1O)C(F)(F)F>>Cc1cocc1Oc1occc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic5membered
+snar_alcohol	2367	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cccnc1O)C(F)(F)F>>Cc1cocc1Oc1ncccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic6membered
 snar_alcohol	2368	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCCCCO)C(F)(F)F>>Cc1c(OCCCCCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Het5.PrimaryAlcoholAliphatic
 snar_alcohol	2369	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1ccccc1CO)C(F)(F)F>>Cc1c(OCc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Het5.PrimaryAlcoholAromatic
 snar_alcohol	2370	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.CCC(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>CCC(CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)Oc1oc2cocc2c1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Het5.SecondaryAlcoholAliphaticAcyclic
@@ -2405,19 +2405,19 @@ snar_alcohol	2403	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.CC1(O)CCCC(Cc2c(OS(=O)(=O)C
 snar_alcohol	2404	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccccc1O)C(F)(F)F>>Cc1c(Oc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Phe.Phenol
 snar_alcohol	2405	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccoc1O)C(F)(F)F>>Cc1c(Oc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Phe.PhenolHeteroaromatic5membered
 snar_alcohol	2406	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1cccnc1O)C(F)(F)F>>Cc1c(Oc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Phe.PhenolHeteroaromatic6membered
-snar_alcohol	2407	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCCCCO)C(F)(F)F>>Cc1cnccc1OCCCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PrimaryAlcoholAliphatic
-snar_alcohol	2408	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1CO)C(F)(F)F>>Cc1cnccc1OCc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PrimaryAlcoholAromatic
-snar_alcohol	2409	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCC(O)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cnccc1OS(=O)(=O)C(F)(F)F)Oc1ccncc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAliphaticAcyclic
-snar_alcohol	2410	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCC2C(C1)C(O)C1CCCCC12)C(F)(F)F>>Cc1cnccc1OC1C2CCCCC2C2CCC(Cc3cnccc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAliphaticCyclic
-snar_alcohol	2411	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1C(O)c1ccccc1)C(F)(F)F>>Cc1cnccc1OC(c1ccccc1)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAromaticAcyclic
-snar_alcohol	2412	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(O)c1ccccc1-2)C(F)(F)F>>Cc1cnccc1OC1c2ccccc2c2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAromaticCyclic
-snar_alcohol	2413	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCCC(O)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCC(Oc1ccncc1C)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholMixAcyclic
-snar_alcohol	2414	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(O)C1CCCCC21)C(F)(F)F>>Cc1cnccc1OC1c2cc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholMixCyclic
-snar_alcohol	2415	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1OS(=O)(=O)C(F)(F)F)CC(C)(C)O>>Cc1cnccc1OC(C)(C)CC(C)Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.TertiaryAlcoholAcyclic
-snar_alcohol	2416	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(O)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cnccc1OC1(C)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.TertiaryAlcoholCyclic
-snar_alcohol	2417	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1O)C(F)(F)F>>Cc1cnccc1Oc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.Phenol
-snar_alcohol	2418	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccoc1O)C(F)(F)F>>Cc1cnccc1Oc1occc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic5membered
-snar_alcohol	2419	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cccnc1O)C(F)(F)F>>Cc1cnccc1Oc1ncccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic6membered
+snar_alcohol	2407	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCCCCO)C(F)(F)F>>Cc1cnccc1OCCCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PrimaryAlcoholAliphatic
+snar_alcohol	2408	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1CO)C(F)(F)F>>Cc1cnccc1OCc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PrimaryAlcoholAromatic
+snar_alcohol	2409	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCC(O)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cnccc1OS(=O)(=O)C(F)(F)F)Oc1ccncc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAliphaticAcyclic
+snar_alcohol	2410	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCC2C(C1)C(O)C1CCCCC12)C(F)(F)F>>Cc1cnccc1OC1C2CCCCC2C2CCC(Cc3cnccc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAliphaticCyclic
+snar_alcohol	2411	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1C(O)c1ccccc1)C(F)(F)F>>Cc1cnccc1OC(c1ccccc1)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAromaticAcyclic
+snar_alcohol	2412	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(O)c1ccccc1-2)C(F)(F)F>>Cc1cnccc1OC1c2ccccc2c2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholAromaticCyclic
+snar_alcohol	2413	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCCC(O)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCC(Oc1ccncc1C)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholMixAcyclic
+snar_alcohol	2414	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(O)C1CCCCC21)C(F)(F)F>>Cc1cnccc1OC1c2cc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.SecondaryAlcoholMixCyclic
+snar_alcohol	2415	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1OS(=O)(=O)C(F)(F)F)CC(C)(C)O>>Cc1cnccc1OC(C)(C)CC(C)Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.TertiaryAlcoholAcyclic
+snar_alcohol	2416	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(O)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cnccc1OC1(C)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.TertiaryAlcoholCyclic
+snar_alcohol	2417	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1O)C(F)(F)F>>Cc1cnccc1Oc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.Phenol
+snar_alcohol	2418	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccoc1O)C(F)(F)F>>Cc1cnccc1Oc1occc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic5membered
+snar_alcohol	2419	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cccnc1O)C(F)(F)F>>Cc1cnccc1Oc1ncccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic6membered
 snar_alcohol	2420	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCCCCO)C(F)(F)F>>Cc1nc2cocc2cc1OCCCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6Het5.PrimaryAlcoholAliphatic
 snar_alcohol	2421	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1ccccc1CO)C(F)(F)F>>Cc1nc2cocc2cc1OCc1ccccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6Het5.PrimaryAlcoholAromatic
 snar_alcohol	2422	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.CCC(O)CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)Oc1cc2cocc2nc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6Het5.SecondaryAlcoholAliphaticAcyclic
@@ -2483,19 +2483,19 @@ snar_alcohol	2481	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.CC1(O)CCCC(Cc2c(OS(=O)(=O)
 snar_alcohol	2482	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1ccccc1O)C(F)(F)F>>Cc1c(Oc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PheHet6.Phenol
 snar_alcohol	2483	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1ccoc1O)C(F)(F)F>>Cc1c(Oc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PheHet6.PhenolHeteroaromatic5membered
 snar_alcohol	2484	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1cccnc1O)C(F)(F)F>>Cc1c(Oc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PheHet6.PhenolHeteroaromatic6membered
-snar_thiol	2485	Cc1ccccc1Br.SCCCCCc1ccccc1Br>>Cc1ccccc1SCCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.PrimaryThiolAliphatic
-snar_thiol	2486	Cc1ccccc1Br.SCc1ccccc1CCc1ccccc1Br>>Cc1ccccc1SCc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.PrimaryThiolAromatic
-snar_thiol	2487	Cc1ccccc1Br.CCC(S)CCCCc1ccccc1Br>>CCC(CCCCc1ccccc1Br)Sc1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAliphaticAcyclic
-snar_thiol	2488	Cc1ccccc1Br.SC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC12>>Cc1ccccc1SC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAliphaticCyclic
-snar_thiol	2489	Cc1ccccc1Br.SC(c1ccccc1)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1SC(c1ccccc1)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAromaticAcyclic
-snar_thiol	2490	Cc1ccccc1Br.SC1c2ccccc2-c2ccc(Cc3ccccc3Br)cc21>>Cc1ccccc1SC1c2ccccc2c2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAromaticCyclic
-snar_thiol	2491	Cc1ccccc1Br.CCCC(S)c1ccccc1CCc1ccccc1Br>>CCCC(Sc1ccccc1C)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolMixAcyclic
-snar_thiol	2492	Cc1ccccc1Br.SC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC12>>Cc1ccccc1SC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolMixCyclic
-snar_thiol	2493	Cc1ccccc1Br.CC(Cc1ccccc1Br)CC(C)(C)S>>Cc1ccccc1SC(C)(C)CC(C)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.TertiaryThiolAcyclic
-snar_thiol	2494	Cc1ccccc1Br.CC1(S)CCCC(Cc2ccccc2Br)C1>>Cc1ccccc1SC1(C)CCCC(Cc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.TertiaryThiolCyclic
-snar_thiol	2495	Cc1ccccc1Br.Sc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Sc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.Thiophenol
-snar_thiol	2496	Cc1ccccc1Br.Sc1occc1CCc1ccccc1Br>>Cc1ccccc1Sc1occc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.ThiophenolHeteroaromatic5membered
-snar_thiol	2497	Cc1ccccc1Br.Sc1ncccc1CCc1ccccc1Br>>Cc1ccccc1Sc1ncccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.ThiophenolHeteroaromatic6membered
+snar_thiol	2485	Cc1ccccc1Br.SCCCCCc1ccccc1Br>>Cc1ccccc1SCCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.PrimaryThiolAliphatic
+snar_thiol	2486	Cc1ccccc1Br.SCc1ccccc1CCc1ccccc1Br>>Cc1ccccc1SCc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.PrimaryThiolAromatic
+snar_thiol	2487	Cc1ccccc1Br.CCC(S)CCCCc1ccccc1Br>>CCC(CCCCc1ccccc1Br)Sc1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAliphaticAcyclic
+snar_thiol	2488	Cc1ccccc1Br.SC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC12>>Cc1ccccc1SC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAliphaticCyclic
+snar_thiol	2489	Cc1ccccc1Br.SC(c1ccccc1)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1SC(c1ccccc1)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAromaticAcyclic
+snar_thiol	2490	Cc1ccccc1Br.SC1c2ccccc2-c2ccc(Cc3ccccc3Br)cc21>>Cc1ccccc1SC1c2ccccc2c2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolAromaticCyclic
+snar_thiol	2491	Cc1ccccc1Br.CCCC(S)c1ccccc1CCc1ccccc1Br>>CCCC(Sc1ccccc1C)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolMixAcyclic
+snar_thiol	2492	Cc1ccccc1Br.SC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC12>>Cc1ccccc1SC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.SecondaryThiolMixCyclic
+snar_thiol	2493	Cc1ccccc1Br.CC(Cc1ccccc1Br)CC(C)(C)S>>Cc1ccccc1SC(C)(C)CC(C)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.TertiaryThiolAcyclic
+snar_thiol	2494	Cc1ccccc1Br.CC1(S)CCCC(Cc2ccccc2Br)C1>>Cc1ccccc1SC1(C)CCCC(Cc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.TertiaryThiolCyclic
+snar_thiol	2495	Cc1ccccc1Br.Sc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Sc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.Thiophenol
+snar_thiol	2496	Cc1ccccc1Br.Sc1occc1CCc1ccccc1Br>>Cc1ccccc1Sc1occc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.ThiophenolHeteroaromatic5membered
+snar_thiol	2497	Cc1ccccc1Br.Sc1ncccc1CCc1ccccc1Br>>Cc1ccccc1Sc1ncccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Phe.ThiophenolHeteroaromatic6membered
 snar_thiol	2498	Cc1c(Br)ccc2ccccc12.SCCCCCc1c(Br)ccc2ccccc12>>Cc1c(SCCCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PhePhe.PrimaryThiolAliphatic
 snar_thiol	2499	Cc1c(Br)ccc2ccccc12.SCc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(SCc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PhePhe.PrimaryThiolAromatic
 snar_thiol	2500	Cc1c(Br)ccc2ccccc12.CCC(S)CCCCc1c(Br)ccc2ccccc12>>CCC(CCCCc1c(Br)ccc2ccccc12)Sc1ccc2ccccc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PhePhe.SecondaryThiolAliphaticAcyclic
@@ -2509,19 +2509,19 @@ snar_thiol	2507	Cc1c(Br)ccc2ccccc12.CC1(S)CCCC(Cc2c(Br)ccc3ccccc23)C1>>Cc1c(SC2(
 snar_thiol	2508	Cc1c(Br)ccc2ccccc12.Sc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Sc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PhePhe.Thiophenol
 snar_thiol	2509	Cc1c(Br)ccc2ccccc12.Sc1occc1CCc1c(Br)ccc2ccccc12>>Cc1c(Sc2occc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PhePhe.ThiophenolHeteroaromatic5membered
 snar_thiol	2510	Cc1c(Br)ccc2ccccc12.Sc1ncccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Sc2ncccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PhePhe.ThiophenolHeteroaromatic6membered
-snar_thiol	2511	Cc1ccccc1I.SCCCCCc1ccccc1I>>Cc1ccccc1SCCCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.PrimaryThiolAliphatic
-snar_thiol	2512	Cc1ccccc1I.SCc1ccccc1CCc1ccccc1I>>Cc1ccccc1SCc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.PrimaryThiolAromatic
-snar_thiol	2513	Cc1ccccc1I.CCC(S)CCCCc1ccccc1I>>CCC(CCCCc1ccccc1I)Sc1ccccc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAliphaticAcyclic
-snar_thiol	2514	Cc1ccccc1I.SC1C2CCCCC2C2CCC(Cc3ccccc3I)CC12>>Cc1ccccc1SC1C2CCCCC2C2CCC(Cc3ccccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAliphaticCyclic
-snar_thiol	2515	Cc1ccccc1I.SC(c1ccccc1)c1ccccc1CCc1ccccc1I>>Cc1ccccc1SC(c1ccccc1)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAromaticAcyclic
-snar_thiol	2516	Cc1ccccc1I.SC1c2ccccc2-c2ccc(Cc3ccccc3I)cc21>>Cc1ccccc1SC1c2ccccc2c2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAromaticCyclic
-snar_thiol	2517	Cc1ccccc1I.CCCC(S)c1ccccc1CCc1ccccc1I>>CCCC(Sc1ccccc1C)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolMixAcyclic
-snar_thiol	2518	Cc1ccccc1I.SC1c2cc(Cc3ccccc3I)ccc2C2CCCCC12>>Cc1ccccc1SC1c2cc(Cc3ccccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolMixCyclic
-snar_thiol	2519	Cc1ccccc1I.CC(Cc1ccccc1I)CC(C)(C)S>>Cc1ccccc1SC(C)(C)CC(C)Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.TertiaryThiolAcyclic
-snar_thiol	2520	Cc1ccccc1I.CC1(S)CCCC(Cc2ccccc2I)C1>>Cc1ccccc1SC1(C)CCCC(Cc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.TertiaryThiolCyclic
-snar_thiol	2521	Cc1ccccc1I.Sc1ccccc1CCc1ccccc1I>>Cc1ccccc1Sc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.Thiophenol
-snar_thiol	2522	Cc1ccccc1I.Sc1occc1CCc1ccccc1I>>Cc1ccccc1Sc1occc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.ThiophenolHeteroaromatic5membered
-snar_thiol	2523	Cc1ccccc1I.Sc1ncccc1CCc1ccccc1I>>Cc1ccccc1Sc1ncccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.ThiophenolHeteroaromatic6membered
+snar_thiol	2511	Cc1ccccc1I.SCCCCCc1ccccc1I>>Cc1ccccc1SCCCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.PrimaryThiolAliphatic
+snar_thiol	2512	Cc1ccccc1I.SCc1ccccc1CCc1ccccc1I>>Cc1ccccc1SCc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.PrimaryThiolAromatic
+snar_thiol	2513	Cc1ccccc1I.CCC(S)CCCCc1ccccc1I>>CCC(CCCCc1ccccc1I)Sc1ccccc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAliphaticAcyclic
+snar_thiol	2514	Cc1ccccc1I.SC1C2CCCCC2C2CCC(Cc3ccccc3I)CC12>>Cc1ccccc1SC1C2CCCCC2C2CCC(Cc3ccccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAliphaticCyclic
+snar_thiol	2515	Cc1ccccc1I.SC(c1ccccc1)c1ccccc1CCc1ccccc1I>>Cc1ccccc1SC(c1ccccc1)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAromaticAcyclic
+snar_thiol	2516	Cc1ccccc1I.SC1c2ccccc2-c2ccc(Cc3ccccc3I)cc21>>Cc1ccccc1SC1c2ccccc2c2ccc(Cc3ccccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolAromaticCyclic
+snar_thiol	2517	Cc1ccccc1I.CCCC(S)c1ccccc1CCc1ccccc1I>>CCCC(Sc1ccccc1C)c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolMixAcyclic
+snar_thiol	2518	Cc1ccccc1I.SC1c2cc(Cc3ccccc3I)ccc2C2CCCCC12>>Cc1ccccc1SC1c2cc(Cc3ccccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.SecondaryThiolMixCyclic
+snar_thiol	2519	Cc1ccccc1I.CC(Cc1ccccc1I)CC(C)(C)S>>Cc1ccccc1SC(C)(C)CC(C)Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.TertiaryThiolAcyclic
+snar_thiol	2520	Cc1ccccc1I.CC1(S)CCCC(Cc2ccccc2I)C1>>Cc1ccccc1SC1(C)CCCC(Cc2ccccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.TertiaryThiolCyclic
+snar_thiol	2521	Cc1ccccc1I.Sc1ccccc1CCc1ccccc1I>>Cc1ccccc1Sc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.Thiophenol
+snar_thiol	2522	Cc1ccccc1I.Sc1occc1CCc1ccccc1I>>Cc1ccccc1Sc1occc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.ThiophenolHeteroaromatic5membered
+snar_thiol	2523	Cc1ccccc1I.Sc1ncccc1CCc1ccccc1I>>Cc1ccccc1Sc1ncccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Phe.ThiophenolHeteroaromatic6membered
 snar_thiol	2524	Cc1c(I)ccc2ccccc12.SCCCCCc1c(I)ccc2ccccc12>>Cc1c(SCCCCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PhePhe.PrimaryThiolAliphatic
 snar_thiol	2525	Cc1c(I)ccc2ccccc12.SCc1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(SCc2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PhePhe.PrimaryThiolAromatic
 snar_thiol	2526	Cc1c(I)ccc2ccccc12.CCC(S)CCCCc1c(I)ccc2ccccc12>>CCC(CCCCc1c(I)ccc2ccccc12)Sc1ccc2ccccc2c1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PhePhe.SecondaryThiolAliphaticAcyclic
@@ -2535,19 +2535,19 @@ snar_thiol	2533	Cc1c(I)ccc2ccccc12.CC1(S)CCCC(Cc2c(I)ccc3ccccc23)C1>>Cc1c(SC2(C)
 snar_thiol	2534	Cc1c(I)ccc2ccccc12.Sc1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(Sc2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PhePhe.Thiophenol
 snar_thiol	2535	Cc1c(I)ccc2ccccc12.Sc1occc1CCc1c(I)ccc2ccccc12>>Cc1c(Sc2occc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PhePhe.ThiophenolHeteroaromatic5membered
 snar_thiol	2536	Cc1c(I)ccc2ccccc12.Sc1ncccc1CCc1c(I)ccc2ccccc12>>Cc1c(Sc2ncccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PhePhe.ThiophenolHeteroaromatic6membered
-snar_thiol	2537	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCCCCS)c1)C(F)(F)F>>Cc1cccc(SCCCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.PrimaryThiolAliphatic
-snar_thiol	2538	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2CS)c1)C(F)(F)F>>Cc1cccc(SCc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.PrimaryThiolAromatic
-snar_thiol	2539	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCC(S)CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCC(CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1)Sc1cccc(C)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAliphaticAcyclic
-snar_thiol	2540	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCC3C(C2)C(S)C2CCCCC23)c1)C(F)(F)F>>Cc1cccc(SC2C3CCCCC3C3CCC(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)CC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAliphaticCyclic
-snar_thiol	2541	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2C(S)c2ccccc2)c1)C(F)(F)F>>Cc1cccc(SC(c2ccccc2)c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAromaticAcyclic
-snar_thiol	2542	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(S)c2ccccc2-3)c1)C(F)(F)F>>Cc1cccc(SC2c3ccccc3c3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAromaticCyclic
-snar_thiol	2543	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCCC(S)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCC(Sc1cccc(C)c1)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolMixAcyclic
-snar_thiol	2544	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(S)C2CCCCC32)c1)C(F)(F)F>>Cc1cccc(SC2c3cc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)ccc3C3CCCCC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolMixCyclic
-snar_thiol	2545	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)CC(C)(C)S>>Cc1cccc(SC(C)(C)CC(C)Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.TertiaryThiolAcyclic
-snar_thiol	2546	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(S)CCCC(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)C1>>Cc1cccc(SC2(C)CCCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.TertiaryThiolCyclic
-snar_thiol	2547	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2S)c1)C(F)(F)F>>Cc1cccc(Sc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.Thiophenol
-snar_thiol	2548	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccoc2S)c1)C(F)(F)F>>Cc1cccc(Sc2occc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.ThiophenolHeteroaromatic5membered
-snar_thiol	2549	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cccnc2S)c1)C(F)(F)F>>Cc1cccc(Sc2ncccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.ThiophenolHeteroaromatic6membered
+snar_thiol	2537	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCCCCS)c1)C(F)(F)F>>Cc1cccc(SCCCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.PrimaryThiolAliphatic
+snar_thiol	2538	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2CS)c1)C(F)(F)F>>Cc1cccc(SCc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.PrimaryThiolAromatic
+snar_thiol	2539	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCC(S)CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCC(CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1)Sc1cccc(C)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAliphaticAcyclic
+snar_thiol	2540	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCC3C(C2)C(S)C2CCCCC23)c1)C(F)(F)F>>Cc1cccc(SC2C3CCCCC3C3CCC(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)CC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAliphaticCyclic
+snar_thiol	2541	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2C(S)c2ccccc2)c1)C(F)(F)F>>Cc1cccc(SC(c2ccccc2)c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAromaticAcyclic
+snar_thiol	2542	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(S)c2ccccc2-3)c1)C(F)(F)F>>Cc1cccc(SC2c3ccccc3c3ccc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)cc32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolAromaticCyclic
+snar_thiol	2543	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CCCC(S)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCC(Sc1cccc(C)c1)c1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolMixAcyclic
+snar_thiol	2544	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccc3c(c2)C(S)C2CCCCC32)c1)C(F)(F)F>>Cc1cccc(SC2c3cc(Cc4cccc(OS(=O)(=O)C(F)(F)F)c4)ccc3C3CCCCC32)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.SecondaryThiolMixCyclic
+snar_thiol	2545	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC(Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)CC(C)(C)S>>Cc1cccc(SC(C)(C)CC(C)Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.TertiaryThiolAcyclic
+snar_thiol	2546	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(S)CCCC(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)C1>>Cc1cccc(SC2(C)CCCC(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)C2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.TertiaryThiolCyclic
+snar_thiol	2547	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2S)c1)C(F)(F)F>>Cc1cccc(Sc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.Thiophenol
+snar_thiol	2548	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccoc2S)c1)C(F)(F)F>>Cc1cccc(Sc2occc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.ThiophenolHeteroaromatic5membered
+snar_thiol	2549	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cccnc2S)c1)C(F)(F)F>>Cc1cccc(Sc2ncccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Phe.ThiophenolHeteroaromatic6membered
 snar_thiol	2550	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCCCCS)C(F)(F)F>>Cc1c(SCCCCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PhePhe.PrimaryThiolAliphatic
 snar_thiol	2551	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1CS)C(F)(F)F>>Cc1c(SCc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PhePhe.PrimaryThiolAromatic
 snar_thiol	2552	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CCC(S)CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>CCC(CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)Sc1ccc2ccccc2c1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PhePhe.SecondaryThiolAliphaticAcyclic
@@ -2561,19 +2561,19 @@ snar_thiol	2559	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CC1(S)CCCC(Cc2c(OS(=O)(=O)C(
 snar_thiol	2560	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1S)C(F)(F)F>>Cc1c(Sc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PhePhe.Thiophenol
 snar_thiol	2561	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccoc1S)C(F)(F)F>>Cc1c(Sc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PhePhe.ThiophenolHeteroaromatic5membered
 snar_thiol	2562	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1cccnc1S)C(F)(F)F>>Cc1c(Sc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PhePhe.ThiophenolHeteroaromatic6membered
-snar_thiol	2563	Cc1cocc1Br.SCCCCCc1cocc1Br>>Cc1cocc1SCCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.PrimaryThiolAliphatic
-snar_thiol	2564	Cc1cocc1Br.SCc1ccccc1CCc1cocc1Br>>Cc1cocc1SCc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.PrimaryThiolAromatic
-snar_thiol	2565	Cc1cocc1Br.CCC(S)CCCCc1cocc1Br>>CCC(CCCCc1cocc1Br)Sc1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAliphaticAcyclic
-snar_thiol	2566	Cc1cocc1Br.SC1C2CCCCC2C2CCC(Cc3cocc3Br)CC12>>Cc1cocc1SC1C2CCCCC2C2CCC(Cc3cocc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAliphaticCyclic
-snar_thiol	2567	Cc1cocc1Br.SC(c1ccccc1)c1ccccc1CCc1cocc1Br>>Cc1cocc1SC(c1ccccc1)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAromaticAcyclic
-snar_thiol	2568	Cc1cocc1Br.SC1c2ccccc2-c2ccc(Cc3cocc3Br)cc21>>Cc1cocc1SC1c2ccccc2c2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAromaticCyclic
-snar_thiol	2569	Cc1cocc1Br.CCCC(S)c1ccccc1CCc1cocc1Br>>CCCC(Sc1cocc1C)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolMixAcyclic
-snar_thiol	2570	Cc1cocc1Br.SC1c2cc(Cc3cocc3Br)ccc2C2CCCCC12>>Cc1cocc1SC1c2cc(Cc3cocc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolMixCyclic
-snar_thiol	2571	Cc1cocc1Br.CC(Cc1cocc1Br)CC(C)(C)S>>Cc1cocc1SC(C)(C)CC(C)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.TertiaryThiolAcyclic
-snar_thiol	2572	Cc1cocc1Br.CC1(S)CCCC(Cc2cocc2Br)C1>>Cc1cocc1SC1(C)CCCC(Cc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.TertiaryThiolCyclic
-snar_thiol	2573	Cc1cocc1Br.Sc1ccccc1CCc1cocc1Br>>Cc1cocc1Sc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.Thiophenol
-snar_thiol	2574	Cc1cocc1Br.Sc1occc1CCc1cocc1Br>>Cc1cocc1Sc1occc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.ThiophenolHeteroaromatic5membered
-snar_thiol	2575	Cc1cocc1Br.Sc1ncccc1CCc1cocc1Br>>Cc1cocc1Sc1ncccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.ThiophenolHeteroaromatic6membered
+snar_thiol	2563	Cc1cocc1Br.SCCCCCc1cocc1Br>>Cc1cocc1SCCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.PrimaryThiolAliphatic
+snar_thiol	2564	Cc1cocc1Br.SCc1ccccc1CCc1cocc1Br>>Cc1cocc1SCc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.PrimaryThiolAromatic
+snar_thiol	2565	Cc1cocc1Br.CCC(S)CCCCc1cocc1Br>>CCC(CCCCc1cocc1Br)Sc1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAliphaticAcyclic
+snar_thiol	2566	Cc1cocc1Br.SC1C2CCCCC2C2CCC(Cc3cocc3Br)CC12>>Cc1cocc1SC1C2CCCCC2C2CCC(Cc3cocc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAliphaticCyclic
+snar_thiol	2567	Cc1cocc1Br.SC(c1ccccc1)c1ccccc1CCc1cocc1Br>>Cc1cocc1SC(c1ccccc1)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAromaticAcyclic
+snar_thiol	2568	Cc1cocc1Br.SC1c2ccccc2-c2ccc(Cc3cocc3Br)cc21>>Cc1cocc1SC1c2ccccc2c2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolAromaticCyclic
+snar_thiol	2569	Cc1cocc1Br.CCCC(S)c1ccccc1CCc1cocc1Br>>CCCC(Sc1cocc1C)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolMixAcyclic
+snar_thiol	2570	Cc1cocc1Br.SC1c2cc(Cc3cocc3Br)ccc2C2CCCCC12>>Cc1cocc1SC1c2cc(Cc3cocc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.SecondaryThiolMixCyclic
+snar_thiol	2571	Cc1cocc1Br.CC(Cc1cocc1Br)CC(C)(C)S>>Cc1cocc1SC(C)(C)CC(C)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.TertiaryThiolAcyclic
+snar_thiol	2572	Cc1cocc1Br.CC1(S)CCCC(Cc2cocc2Br)C1>>Cc1cocc1SC1(C)CCCC(Cc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.TertiaryThiolCyclic
+snar_thiol	2573	Cc1cocc1Br.Sc1ccccc1CCc1cocc1Br>>Cc1cocc1Sc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.Thiophenol
+snar_thiol	2574	Cc1cocc1Br.Sc1occc1CCc1cocc1Br>>Cc1cocc1Sc1occc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.ThiophenolHeteroaromatic5membered
+snar_thiol	2575	Cc1cocc1Br.Sc1ncccc1CCc1cocc1Br>>Cc1cocc1Sc1ncccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5.ThiophenolHeteroaromatic6membered
 snar_thiol	2576	Cc1c(Br)oc2cocc12.SCCCCCc1c(Br)oc2cocc12>>Cc1c(SCCCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5Het5.PrimaryThiolAliphatic
 snar_thiol	2577	Cc1c(Br)oc2cocc12.SCc1ccccc1CCc1c(Br)oc2cocc12>>Cc1c(SCc2ccccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5Het5.PrimaryThiolAromatic
 snar_thiol	2578	Cc1c(Br)oc2cocc12.CCC(S)CCCCc1c(Br)oc2cocc12>>CCC(CCCCc1c(Br)oc2cocc12)Sc1oc2cocc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5Het5.SecondaryThiolAliphaticAcyclic
@@ -2613,19 +2613,19 @@ snar_thiol	2611	Cc1c(Br)oc2ccccc12.CC1(S)CCCC(Cc2c(Br)oc3ccccc23)C1>>Cc1c(SC2(C)
 snar_thiol	2612	Cc1c(Br)oc2ccccc12.Sc1ccccc1CCc1c(Br)oc2ccccc12>>Cc1c(Sc2ccccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5Phe.Thiophenol
 snar_thiol	2613	Cc1c(Br)oc2ccccc12.Sc1occc1CCc1c(Br)oc2ccccc12>>Cc1c(Sc2occc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5Phe.ThiophenolHeteroaromatic5membered
 snar_thiol	2614	Cc1c(Br)oc2ccccc12.Sc1ncccc1CCc1c(Br)oc2ccccc12>>Cc1c(Sc2ncccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het5Phe.ThiophenolHeteroaromatic6membered
-snar_thiol	2615	Cc1cnccc1Br.SCCCCCc1cnccc1Br>>Cc1cnccc1SCCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.PrimaryThiolAliphatic
-snar_thiol	2616	Cc1cnccc1Br.SCc1ccccc1CCc1cnccc1Br>>Cc1cnccc1SCc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.PrimaryThiolAromatic
-snar_thiol	2617	Cc1cnccc1Br.CCC(S)CCCCc1cnccc1Br>>CCC(CCCCc1cnccc1Br)Sc1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAliphaticAcyclic
-snar_thiol	2618	Cc1cnccc1Br.SC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC12>>Cc1cnccc1SC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAliphaticCyclic
-snar_thiol	2619	Cc1cnccc1Br.SC(c1ccccc1)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1SC(c1ccccc1)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAromaticAcyclic
-snar_thiol	2620	Cc1cnccc1Br.SC1c2ccccc2-c2ccc(Cc3cnccc3Br)cc21>>Cc1cnccc1SC1c2ccccc2c2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAromaticCyclic
-snar_thiol	2621	Cc1cnccc1Br.CCCC(S)c1ccccc1CCc1cnccc1Br>>CCCC(Sc1ccncc1C)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolMixAcyclic
-snar_thiol	2622	Cc1cnccc1Br.SC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC12>>Cc1cnccc1SC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolMixCyclic
-snar_thiol	2623	Cc1cnccc1Br.CC(Cc1cnccc1Br)CC(C)(C)S>>Cc1cnccc1SC(C)(C)CC(C)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.TertiaryThiolAcyclic
-snar_thiol	2624	Cc1cnccc1Br.CC1(S)CCCC(Cc2cnccc2Br)C1>>Cc1cnccc1SC1(C)CCCC(Cc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.TertiaryThiolCyclic
-snar_thiol	2625	Cc1cnccc1Br.Sc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Sc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.Thiophenol
-snar_thiol	2626	Cc1cnccc1Br.Sc1occc1CCc1cnccc1Br>>Cc1cnccc1Sc1occc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.ThiophenolHeteroaromatic5membered
-snar_thiol	2627	Cc1cnccc1Br.Sc1ncccc1CCc1cnccc1Br>>Cc1cnccc1Sc1ncccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.ThiophenolHeteroaromatic6membered
+snar_thiol	2615	Cc1cnccc1Br.SCCCCCc1cnccc1Br>>Cc1cnccc1SCCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.PrimaryThiolAliphatic
+snar_thiol	2616	Cc1cnccc1Br.SCc1ccccc1CCc1cnccc1Br>>Cc1cnccc1SCc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.PrimaryThiolAromatic
+snar_thiol	2617	Cc1cnccc1Br.CCC(S)CCCCc1cnccc1Br>>CCC(CCCCc1cnccc1Br)Sc1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAliphaticAcyclic
+snar_thiol	2618	Cc1cnccc1Br.SC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC12>>Cc1cnccc1SC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAliphaticCyclic
+snar_thiol	2619	Cc1cnccc1Br.SC(c1ccccc1)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1SC(c1ccccc1)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAromaticAcyclic
+snar_thiol	2620	Cc1cnccc1Br.SC1c2ccccc2-c2ccc(Cc3cnccc3Br)cc21>>Cc1cnccc1SC1c2ccccc2c2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolAromaticCyclic
+snar_thiol	2621	Cc1cnccc1Br.CCCC(S)c1ccccc1CCc1cnccc1Br>>CCCC(Sc1ccncc1C)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolMixAcyclic
+snar_thiol	2622	Cc1cnccc1Br.SC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC12>>Cc1cnccc1SC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.SecondaryThiolMixCyclic
+snar_thiol	2623	Cc1cnccc1Br.CC(Cc1cnccc1Br)CC(C)(C)S>>Cc1cnccc1SC(C)(C)CC(C)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.TertiaryThiolAcyclic
+snar_thiol	2624	Cc1cnccc1Br.CC1(S)CCCC(Cc2cnccc2Br)C1>>Cc1cnccc1SC1(C)CCCC(Cc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.TertiaryThiolCyclic
+snar_thiol	2625	Cc1cnccc1Br.Sc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Sc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.Thiophenol
+snar_thiol	2626	Cc1cnccc1Br.Sc1occc1CCc1cnccc1Br>>Cc1cnccc1Sc1occc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.ThiophenolHeteroaromatic5membered
+snar_thiol	2627	Cc1cnccc1Br.Sc1ncccc1CCc1cnccc1Br>>Cc1cnccc1Sc1ncccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6.ThiophenolHeteroaromatic6membered
 snar_thiol	2628	Cc1nc2cocc2cc1Br.SCCCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1SCCCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6Het5.PrimaryThiolAliphatic
 snar_thiol	2629	Cc1nc2cocc2cc1Br.SCc1ccccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1SCc1ccccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6Het5.PrimaryThiolAromatic
 snar_thiol	2630	Cc1nc2cocc2cc1Br.CCC(S)CCCCc1nc2cocc2cc1Br>>CCC(CCCCc1nc2cocc2cc1Br)Sc1cc2cocc2nc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_Het6Het5.SecondaryThiolAliphaticAcyclic
@@ -2691,19 +2691,19 @@ snar_thiol	2689	CCc1c(Br)ccc2ccncc12.CC1(S)CCCC(CCc2c(Br)ccc3ccncc23)C1>>CCc1c(S
 snar_thiol	2690	CCc1c(Br)ccc2ccncc12.Sc1ccccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Sc2ccccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PheHet6.Thiophenol
 snar_thiol	2691	CCc1c(Br)ccc2ccncc12.Sc1occc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Sc2occc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PheHet6.ThiophenolHeteroaromatic5membered
 snar_thiol	2692	CCc1c(Br)ccc2ccncc12.Sc1ncccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Sc2ncccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Bromide_PheHet6.ThiophenolHeteroaromatic6membered
-snar_thiol	2693	Cc1cocc1I.SCCCCCc1cocc1I>>Cc1cocc1SCCCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.PrimaryThiolAliphatic
-snar_thiol	2694	Cc1cocc1I.SCc1ccccc1CCc1cocc1I>>Cc1cocc1SCc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.PrimaryThiolAromatic
-snar_thiol	2695	Cc1cocc1I.CCC(S)CCCCc1cocc1I>>CCC(CCCCc1cocc1I)Sc1cocc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAliphaticAcyclic
-snar_thiol	2696	Cc1cocc1I.SC1C2CCCCC2C2CCC(Cc3cocc3I)CC12>>Cc1cocc1SC1C2CCCCC2C2CCC(Cc3cocc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAliphaticCyclic
-snar_thiol	2697	Cc1cocc1I.SC(c1ccccc1)c1ccccc1CCc1cocc1I>>Cc1cocc1SC(c1ccccc1)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAromaticAcyclic
-snar_thiol	2698	Cc1cocc1I.SC1c2ccccc2-c2ccc(Cc3cocc3I)cc21>>Cc1cocc1SC1c2ccccc2c2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAromaticCyclic
-snar_thiol	2699	Cc1cocc1I.CCCC(S)c1ccccc1CCc1cocc1I>>CCCC(Sc1cocc1C)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolMixAcyclic
-snar_thiol	2700	Cc1cocc1I.SC1c2cc(Cc3cocc3I)ccc2C2CCCCC12>>Cc1cocc1SC1c2cc(Cc3cocc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolMixCyclic
-snar_thiol	2701	Cc1cocc1I.CC(Cc1cocc1I)CC(C)(C)S>>Cc1cocc1SC(C)(C)CC(C)Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.TertiaryThiolAcyclic
-snar_thiol	2702	Cc1cocc1I.CC1(S)CCCC(Cc2cocc2I)C1>>Cc1cocc1SC1(C)CCCC(Cc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.TertiaryThiolCyclic
-snar_thiol	2703	Cc1cocc1I.Sc1ccccc1CCc1cocc1I>>Cc1cocc1Sc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.Thiophenol
-snar_thiol	2704	Cc1cocc1I.Sc1occc1CCc1cocc1I>>Cc1cocc1Sc1occc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.ThiophenolHeteroaromatic5membered
-snar_thiol	2705	Cc1cocc1I.Sc1ncccc1CCc1cocc1I>>Cc1cocc1Sc1ncccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.ThiophenolHeteroaromatic6membered
+snar_thiol	2693	Cc1cocc1I.SCCCCCc1cocc1I>>Cc1cocc1SCCCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.PrimaryThiolAliphatic
+snar_thiol	2694	Cc1cocc1I.SCc1ccccc1CCc1cocc1I>>Cc1cocc1SCc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.PrimaryThiolAromatic
+snar_thiol	2695	Cc1cocc1I.CCC(S)CCCCc1cocc1I>>CCC(CCCCc1cocc1I)Sc1cocc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAliphaticAcyclic
+snar_thiol	2696	Cc1cocc1I.SC1C2CCCCC2C2CCC(Cc3cocc3I)CC12>>Cc1cocc1SC1C2CCCCC2C2CCC(Cc3cocc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAliphaticCyclic
+snar_thiol	2697	Cc1cocc1I.SC(c1ccccc1)c1ccccc1CCc1cocc1I>>Cc1cocc1SC(c1ccccc1)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAromaticAcyclic
+snar_thiol	2698	Cc1cocc1I.SC1c2ccccc2-c2ccc(Cc3cocc3I)cc21>>Cc1cocc1SC1c2ccccc2c2ccc(Cc3cocc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolAromaticCyclic
+snar_thiol	2699	Cc1cocc1I.CCCC(S)c1ccccc1CCc1cocc1I>>CCCC(Sc1cocc1C)c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolMixAcyclic
+snar_thiol	2700	Cc1cocc1I.SC1c2cc(Cc3cocc3I)ccc2C2CCCCC12>>Cc1cocc1SC1c2cc(Cc3cocc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.SecondaryThiolMixCyclic
+snar_thiol	2701	Cc1cocc1I.CC(Cc1cocc1I)CC(C)(C)S>>Cc1cocc1SC(C)(C)CC(C)Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.TertiaryThiolAcyclic
+snar_thiol	2702	Cc1cocc1I.CC1(S)CCCC(Cc2cocc2I)C1>>Cc1cocc1SC1(C)CCCC(Cc2cocc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.TertiaryThiolCyclic
+snar_thiol	2703	Cc1cocc1I.Sc1ccccc1CCc1cocc1I>>Cc1cocc1Sc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.Thiophenol
+snar_thiol	2704	Cc1cocc1I.Sc1occc1CCc1cocc1I>>Cc1cocc1Sc1occc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.ThiophenolHeteroaromatic5membered
+snar_thiol	2705	Cc1cocc1I.Sc1ncccc1CCc1cocc1I>>Cc1cocc1Sc1ncccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5.ThiophenolHeteroaromatic6membered
 snar_thiol	2706	Cc1c(I)oc2cocc12.SCCCCCc1c(I)oc2cocc12>>Cc1c(SCCCCCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5Het5.PrimaryThiolAliphatic
 snar_thiol	2707	Cc1c(I)oc2cocc12.SCc1ccccc1CCc1c(I)oc2cocc12>>Cc1c(SCc2ccccc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5Het5.PrimaryThiolAromatic
 snar_thiol	2708	Cc1c(I)oc2cocc12.CCC(S)CCCCc1c(I)oc2cocc12>>CCC(CCCCc1c(I)oc2cocc12)Sc1oc2cocc2c1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5Het5.SecondaryThiolAliphaticAcyclic
@@ -2743,19 +2743,19 @@ snar_thiol	2741	Cc1c(I)oc2ccccc12.CC1(S)CCCC(Cc2c(I)oc3ccccc23)C1>>Cc1c(SC2(C)CC
 snar_thiol	2742	Cc1c(I)oc2ccccc12.Sc1ccccc1CCc1c(I)oc2ccccc12>>Cc1c(Sc2ccccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5Phe.Thiophenol
 snar_thiol	2743	Cc1c(I)oc2ccccc12.Sc1occc1CCc1c(I)oc2ccccc12>>Cc1c(Sc2occc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5Phe.ThiophenolHeteroaromatic5membered
 snar_thiol	2744	Cc1c(I)oc2ccccc12.Sc1ncccc1CCc1c(I)oc2ccccc12>>Cc1c(Sc2ncccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het5Phe.ThiophenolHeteroaromatic6membered
-snar_thiol	2745	Cc1cnccc1I.SCCCCCc1cnccc1I>>Cc1cnccc1SCCCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.PrimaryThiolAliphatic
-snar_thiol	2746	Cc1cnccc1I.SCc1ccccc1CCc1cnccc1I>>Cc1cnccc1SCc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.PrimaryThiolAromatic
-snar_thiol	2747	Cc1cnccc1I.CCC(S)CCCCc1cnccc1I>>CCC(CCCCc1cnccc1I)Sc1ccncc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAliphaticAcyclic
-snar_thiol	2748	Cc1cnccc1I.SC1C2CCCCC2C2CCC(Cc3cnccc3I)CC12>>Cc1cnccc1SC1C2CCCCC2C2CCC(Cc3cnccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAliphaticCyclic
-snar_thiol	2749	Cc1cnccc1I.SC(c1ccccc1)c1ccccc1CCc1cnccc1I>>Cc1cnccc1SC(c1ccccc1)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAromaticAcyclic
-snar_thiol	2750	Cc1cnccc1I.SC1c2ccccc2-c2ccc(Cc3cnccc3I)cc21>>Cc1cnccc1SC1c2ccccc2c2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAromaticCyclic
-snar_thiol	2751	Cc1cnccc1I.CCCC(S)c1ccccc1CCc1cnccc1I>>CCCC(Sc1ccncc1C)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolMixAcyclic
-snar_thiol	2752	Cc1cnccc1I.SC1c2cc(Cc3cnccc3I)ccc2C2CCCCC12>>Cc1cnccc1SC1c2cc(Cc3cnccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolMixCyclic
-snar_thiol	2753	Cc1cnccc1I.CC(Cc1cnccc1I)CC(C)(C)S>>Cc1cnccc1SC(C)(C)CC(C)Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.TertiaryThiolAcyclic
-snar_thiol	2754	Cc1cnccc1I.CC1(S)CCCC(Cc2cnccc2I)C1>>Cc1cnccc1SC1(C)CCCC(Cc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.TertiaryThiolCyclic
-snar_thiol	2755	Cc1cnccc1I.Sc1ccccc1CCc1cnccc1I>>Cc1cnccc1Sc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.Thiophenol
-snar_thiol	2756	Cc1cnccc1I.Sc1occc1CCc1cnccc1I>>Cc1cnccc1Sc1occc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.ThiophenolHeteroaromatic5membered
-snar_thiol	2757	Cc1cnccc1I.Sc1ncccc1CCc1cnccc1I>>Cc1cnccc1Sc1ncccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.ThiophenolHeteroaromatic6membered
+snar_thiol	2745	Cc1cnccc1I.SCCCCCc1cnccc1I>>Cc1cnccc1SCCCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.PrimaryThiolAliphatic
+snar_thiol	2746	Cc1cnccc1I.SCc1ccccc1CCc1cnccc1I>>Cc1cnccc1SCc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.PrimaryThiolAromatic
+snar_thiol	2747	Cc1cnccc1I.CCC(S)CCCCc1cnccc1I>>CCC(CCCCc1cnccc1I)Sc1ccncc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAliphaticAcyclic
+snar_thiol	2748	Cc1cnccc1I.SC1C2CCCCC2C2CCC(Cc3cnccc3I)CC12>>Cc1cnccc1SC1C2CCCCC2C2CCC(Cc3cnccc3I)CC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAliphaticCyclic
+snar_thiol	2749	Cc1cnccc1I.SC(c1ccccc1)c1ccccc1CCc1cnccc1I>>Cc1cnccc1SC(c1ccccc1)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAromaticAcyclic
+snar_thiol	2750	Cc1cnccc1I.SC1c2ccccc2-c2ccc(Cc3cnccc3I)cc21>>Cc1cnccc1SC1c2ccccc2c2ccc(Cc3cnccc3I)cc21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolAromaticCyclic
+snar_thiol	2751	Cc1cnccc1I.CCCC(S)c1ccccc1CCc1cnccc1I>>CCCC(Sc1ccncc1C)c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolMixAcyclic
+snar_thiol	2752	Cc1cnccc1I.SC1c2cc(Cc3cnccc3I)ccc2C2CCCCC12>>Cc1cnccc1SC1c2cc(Cc3cnccc3I)ccc2C2CCCCC21	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.SecondaryThiolMixCyclic
+snar_thiol	2753	Cc1cnccc1I.CC(Cc1cnccc1I)CC(C)(C)S>>Cc1cnccc1SC(C)(C)CC(C)Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.TertiaryThiolAcyclic
+snar_thiol	2754	Cc1cnccc1I.CC1(S)CCCC(Cc2cnccc2I)C1>>Cc1cnccc1SC1(C)CCCC(Cc2cnccc2I)C1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.TertiaryThiolCyclic
+snar_thiol	2755	Cc1cnccc1I.Sc1ccccc1CCc1cnccc1I>>Cc1cnccc1Sc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.Thiophenol
+snar_thiol	2756	Cc1cnccc1I.Sc1occc1CCc1cnccc1I>>Cc1cnccc1Sc1occc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.ThiophenolHeteroaromatic5membered
+snar_thiol	2757	Cc1cnccc1I.Sc1ncccc1CCc1cnccc1I>>Cc1cnccc1Sc1ncccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6.ThiophenolHeteroaromatic6membered
 snar_thiol	2758	Cc1nc2cocc2cc1I.SCCCCCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1SCCCCCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6Het5.PrimaryThiolAliphatic
 snar_thiol	2759	Cc1nc2cocc2cc1I.SCc1ccccc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1SCc1ccccc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6Het5.PrimaryThiolAromatic
 snar_thiol	2760	Cc1nc2cocc2cc1I.CCC(S)CCCCc1nc2cocc2cc1I>>CCC(CCCCc1nc2cocc2cc1I)Sc1cc2cocc2nc1C	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_Het6Het5.SecondaryThiolAliphaticAcyclic
@@ -2821,19 +2821,19 @@ snar_thiol	2819	CCc1c(I)ccc2ccncc12.CC1(S)CCCC(CCc2c(I)ccc3ccncc23)C1>>CCc1c(SC2
 snar_thiol	2820	CCc1c(I)ccc2ccncc12.Sc1ccccc1CCCc1c(I)ccc2ccncc12>>CCc1c(Sc2ccccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PheHet6.Thiophenol
 snar_thiol	2821	CCc1c(I)ccc2ccncc12.Sc1occc1CCCc1c(I)ccc2ccncc12>>CCc1c(Sc2occc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PheHet6.ThiophenolHeteroaromatic5membered
 snar_thiol	2822	CCc1c(I)ccc2ccncc12.Sc1ncccc1CCCc1c(I)ccc2ccncc12>>CCc1c(Sc2ncccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Iodide_PheHet6.ThiophenolHeteroaromatic6membered
-snar_thiol	2823	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCCCCS)C(F)(F)F>>Cc1cocc1SCCCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.PrimaryThiolAliphatic
-snar_thiol	2824	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1CS)C(F)(F)F>>Cc1cocc1SCc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.PrimaryThiolAromatic
-snar_thiol	2825	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCC(S)CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cocc1OS(=O)(=O)C(F)(F)F)Sc1cocc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAliphaticAcyclic
-snar_thiol	2826	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCC2C(C1)C(S)C1CCCCC12)C(F)(F)F>>Cc1cocc1SC1C2CCCCC2C2CCC(Cc3cocc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAliphaticCyclic
-snar_thiol	2827	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1C(S)c1ccccc1)C(F)(F)F>>Cc1cocc1SC(c1ccccc1)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAromaticAcyclic
-snar_thiol	2828	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(S)c1ccccc1-2)C(F)(F)F>>Cc1cocc1SC1c2ccccc2c2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAromaticCyclic
-snar_thiol	2829	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCCC(S)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCC(Sc1cocc1C)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolMixAcyclic
-snar_thiol	2830	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(S)C1CCCCC21)C(F)(F)F>>Cc1cocc1SC1c2cc(Cc3cocc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolMixCyclic
-snar_thiol	2831	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC(Cc1cocc1OS(=O)(=O)C(F)(F)F)CC(C)(C)S>>Cc1cocc1SC(C)(C)CC(C)Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.TertiaryThiolAcyclic
-snar_thiol	2832	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(S)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cocc1SC1(C)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.TertiaryThiolCyclic
-snar_thiol	2833	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1S)C(F)(F)F>>Cc1cocc1Sc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.Thiophenol
-snar_thiol	2834	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccoc1S)C(F)(F)F>>Cc1cocc1Sc1occc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.ThiophenolHeteroaromatic5membered
-snar_thiol	2835	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cccnc1S)C(F)(F)F>>Cc1cocc1Sc1ncccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.ThiophenolHeteroaromatic6membered
+snar_thiol	2823	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCCCCS)C(F)(F)F>>Cc1cocc1SCCCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.PrimaryThiolAliphatic
+snar_thiol	2824	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1CS)C(F)(F)F>>Cc1cocc1SCc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.PrimaryThiolAromatic
+snar_thiol	2825	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCC(S)CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cocc1OS(=O)(=O)C(F)(F)F)Sc1cocc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAliphaticAcyclic
+snar_thiol	2826	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCC2C(C1)C(S)C1CCCCC12)C(F)(F)F>>Cc1cocc1SC1C2CCCCC2C2CCC(Cc3cocc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAliphaticCyclic
+snar_thiol	2827	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1C(S)c1ccccc1)C(F)(F)F>>Cc1cocc1SC(c1ccccc1)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAromaticAcyclic
+snar_thiol	2828	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(S)c1ccccc1-2)C(F)(F)F>>Cc1cocc1SC1c2ccccc2c2ccc(Cc3cocc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolAromaticCyclic
+snar_thiol	2829	Cc1cocc1OS(=O)(=O)C(F)(F)F.CCCC(S)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCC(Sc1cocc1C)c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolMixAcyclic
+snar_thiol	2830	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccc2c(c1)C(S)C1CCCCC21)C(F)(F)F>>Cc1cocc1SC1c2cc(Cc3cocc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.SecondaryThiolMixCyclic
+snar_thiol	2831	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC(Cc1cocc1OS(=O)(=O)C(F)(F)F)CC(C)(C)S>>Cc1cocc1SC(C)(C)CC(C)Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.TertiaryThiolAcyclic
+snar_thiol	2832	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(S)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cocc1SC1(C)CCCC(Cc2cocc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.TertiaryThiolCyclic
+snar_thiol	2833	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1S)C(F)(F)F>>Cc1cocc1Sc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.Thiophenol
+snar_thiol	2834	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccoc1S)C(F)(F)F>>Cc1cocc1Sc1occc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.ThiophenolHeteroaromatic5membered
+snar_thiol	2835	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cccnc1S)C(F)(F)F>>Cc1cocc1Sc1ncccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5.ThiophenolHeteroaromatic6membered
 snar_thiol	2836	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCCCCS)C(F)(F)F>>Cc1c(SCCCCCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5Het5.PrimaryThiolAliphatic
 snar_thiol	2837	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1ccccc1CS)C(F)(F)F>>Cc1c(SCc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5Het5.PrimaryThiolAromatic
 snar_thiol	2838	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.CCC(S)CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>CCC(CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)Sc1oc2cocc2c1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5Het5.SecondaryThiolAliphaticAcyclic
@@ -2873,19 +2873,19 @@ snar_thiol	2871	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.CC1(S)CCCC(Cc2c(OS(=O)(=O)C(F
 snar_thiol	2872	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccccc1S)C(F)(F)F>>Cc1c(Sc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5Phe.Thiophenol
 snar_thiol	2873	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccoc1S)C(F)(F)F>>Cc1c(Sc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5Phe.ThiophenolHeteroaromatic5membered
 snar_thiol	2874	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1cccnc1S)C(F)(F)F>>Cc1c(Sc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het5Phe.ThiophenolHeteroaromatic6membered
-snar_thiol	2875	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCCCCS)C(F)(F)F>>Cc1cnccc1SCCCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.PrimaryThiolAliphatic
-snar_thiol	2876	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1CS)C(F)(F)F>>Cc1cnccc1SCc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.PrimaryThiolAromatic
-snar_thiol	2877	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCC(S)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cnccc1OS(=O)(=O)C(F)(F)F)Sc1ccncc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAliphaticAcyclic
-snar_thiol	2878	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCC2C(C1)C(S)C1CCCCC12)C(F)(F)F>>Cc1cnccc1SC1C2CCCCC2C2CCC(Cc3cnccc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAliphaticCyclic
-snar_thiol	2879	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1C(S)c1ccccc1)C(F)(F)F>>Cc1cnccc1SC(c1ccccc1)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAromaticAcyclic
-snar_thiol	2880	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(S)c1ccccc1-2)C(F)(F)F>>Cc1cnccc1SC1c2ccccc2c2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAromaticCyclic
-snar_thiol	2881	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCCC(S)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCC(Sc1ccncc1C)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolMixAcyclic
-snar_thiol	2882	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(S)C1CCCCC21)C(F)(F)F>>Cc1cnccc1SC1c2cc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolMixCyclic
-snar_thiol	2883	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1OS(=O)(=O)C(F)(F)F)CC(C)(C)S>>Cc1cnccc1SC(C)(C)CC(C)Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.TertiaryThiolAcyclic
-snar_thiol	2884	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(S)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cnccc1SC1(C)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.TertiaryThiolCyclic
-snar_thiol	2885	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1S)C(F)(F)F>>Cc1cnccc1Sc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.Thiophenol
-snar_thiol	2886	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccoc1S)C(F)(F)F>>Cc1cnccc1Sc1occc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.ThiophenolHeteroaromatic5membered
-snar_thiol	2887	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cccnc1S)C(F)(F)F>>Cc1cnccc1Sc1ncccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.ThiophenolHeteroaromatic6membered
+snar_thiol	2875	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCCCCS)C(F)(F)F>>Cc1cnccc1SCCCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.PrimaryThiolAliphatic
+snar_thiol	2876	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1CS)C(F)(F)F>>Cc1cnccc1SCc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.PrimaryThiolAromatic
+snar_thiol	2877	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCC(S)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1cnccc1OS(=O)(=O)C(F)(F)F)Sc1ccncc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAliphaticAcyclic
+snar_thiol	2878	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCC2C(C1)C(S)C1CCCCC12)C(F)(F)F>>Cc1cnccc1SC1C2CCCCC2C2CCC(Cc3cnccc3OS(=O)(=O)C(F)(F)F)CC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAliphaticCyclic
+snar_thiol	2879	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1C(S)c1ccccc1)C(F)(F)F>>Cc1cnccc1SC(c1ccccc1)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAromaticAcyclic
+snar_thiol	2880	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(S)c1ccccc1-2)C(F)(F)F>>Cc1cnccc1SC1c2ccccc2c2ccc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolAromaticCyclic
+snar_thiol	2881	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CCCC(S)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCC(Sc1ccncc1C)c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolMixAcyclic
+snar_thiol	2882	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccc2c(c1)C(S)C1CCCCC21)C(F)(F)F>>Cc1cnccc1SC1c2cc(Cc3cnccc3OS(=O)(=O)C(F)(F)F)ccc2C2CCCCC21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D3]([a])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.SecondaryThiolMixCyclic
+snar_thiol	2883	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1OS(=O)(=O)C(F)(F)F)CC(C)(C)S>>Cc1cnccc1SC(C)(C)CC(C)Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.TertiaryThiolAcyclic
+snar_thiol	2884	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(S)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1>>Cc1cnccc1SC1(C)CCCC(Cc2cnccc2OS(=O)(=O)C(F)(F)F)C1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(S[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.TertiaryThiolCyclic
+snar_thiol	2885	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1S)C(F)(F)F>>Cc1cnccc1Sc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.Thiophenol
+snar_thiol	2886	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccoc1S)C(F)(F)F>>Cc1cnccc1Sc1occc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.ThiophenolHeteroaromatic5membered
+snar_thiol	2887	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cccnc1S)C(F)(F)F>>Cc1cnccc1Sc1ncccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6.ThiophenolHeteroaromatic6membered
 snar_thiol	2888	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCCCCS)C(F)(F)F>>Cc1nc2cocc2cc1SCCCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;D2,D1;!$(C[a])]);!$(SC=*);!$(SC#*):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6Het5.PrimaryThiolAliphatic
 snar_thiol	2889	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1ccccc1CS)C(F)(F)F>>Cc1nc2cocc2cc1SCc1ccccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;D2][a]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6Het5.PrimaryThiolAromatic
 snar_thiol	2890	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.CCC(S)CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCC(CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)Sc1cc2cocc2nc1C	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[S;H1;D1;$(S[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_Het6Het5.SecondaryThiolAliphaticAcyclic
@@ -2951,42 +2951,42 @@ snar_thiol	2949	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.CC1(S)CCCC(Cc2c(OS(=O)(=O)C(
 snar_thiol	2950	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1ccccc1S)C(F)(F)F>>Cc1c(Sc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;$(Sc1ccccc1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PheHet6.Thiophenol
 snar_thiol	2951	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1ccoc1S)C(F)(F)F>>Cc1c(Sc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;!$(Sc1cccc1);$(Sc1aaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PheHet6.ThiophenolHeteroaromatic5membered
 snar_thiol	2952	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1cccnc1S)C(F)(F)F>>Cc1c(Sc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[S;H1;D1;!$(Sc1ccccc1);$(Sc1aaaaa1):3][#6:4]>>[a:2][S:3][#6:4]	X-Triflate_PheHet6.ThiophenolHeteroaromatic6membered
-snar_amine	2953	Cc1ccccc1Cl.NCCNCCCCc1ccccc1Cl>>Cc1ccccc1N(CCN)CCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	2954	Cc1ccccc1Cl.CNC=CNCCCCc1ccccc1Cl>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	2955	Cc1ccccc1Cl.CNC=CNC=CCCc1ccccc1Cl>>CNC=CN(C=CCCc1ccccc1Cl)c1ccccc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	2956	Cc1ccccc1Cl.Clc1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	2957	Cc1ccccc1Cl.Clc1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	2958	Cc1ccccc1Cl.Clc1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	2959	Cc1ccccc1Cl.NCCNCCCc1ccccc1Cl>>Cc1ccccc1NCCNCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_SaturatedAliphatic
-snar_amine	2960	Cc1ccccc1Cl.NC=CNCCCc1ccccc1Cl>>Cc1ccccc1NC=CNCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_UnsaturatedAliphatic
-snar_amine	2961	Cc1ccccc1Cl.Nc1ccccc1Nc1ccc(CCc2ccccc2Cl)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
-snar_amine	2962	Cc1ccccc1Cl.Clc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	2963	Cc1ccccc1Cl.Clc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	2964	Cc1ccccc1Cl.Clc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
-snar_amine	2965	Cc1ccccc1Cl.Clc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	2966	Cc1ccccc1Cl.Clc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	2967	Cc1ccccc1Cl.Nc1cccc(CCc2ccccc2Cl)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Phe
-snar_amine	2968	Cc1ccccc1Cl.Nc1cc2ccc(CCc3ccccc3Cl)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_PhePhe
-snar_amine	2969	Cc1ccccc1Cl.CC(Cc1ccccc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	2970	Cc1ccccc1Cl.Nc1cnccc1Nc1cncc(CCc2ccccc2Cl)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	2971	Cc1ccccc1Cl.Clc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	2972	Cc1ccccc1Cl.Clc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	2973	Cc1ccccc1Cl.Clc1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	2974	Cc1ccccc1Cl.Clc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	2975	Cc1ccccc1Cl.Clc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	2976	Cc1ccccc1Cl.Clc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	2977	Cc1ccccc1Cl.Nc1occ(CCc2ccccc2Cl)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5
-snar_amine	2978	Cc1ccccc1Cl.Nc1oc2c(CCc3ccccc3Cl)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5Het5
-snar_amine	2979	Cc1ccccc1Cl.Nc1oc2cc(CCc3ccccc3Cl)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5Het6
-snar_amine	2980	Cc1ccccc1Cl.Nc1oc2ccc(CCc3ccccc3Cl)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5Phe
-snar_amine	2981	Cc1ccccc1Cl.Nc1nccc(CCc2ccccc2Cl)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6
-snar_amine	2982	Cc1ccccc1Cl.Nc1c(Cc2ccccc2Cl)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6Het5
-snar_amine	2983	Cc1ccccc1Cl.Nc1ncc2cc(CCc3ccccc3Cl)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6Het6
-snar_amine	2984	Cc1ccccc1Cl.Nc1ncc2ccc(CCc3ccccc3Cl)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6Phe
-snar_amine	2985	Cc1ccccc1Cl.Nc1c(Cc2ccccc2Cl)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_PheHet5
-snar_amine	2986	Cc1ccccc1Cl.Nc1cc2cncc(CCc3ccccc3Cl)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_PheHet6
-snar_amine	2987	Cc1ccccc1Cl.NCc1ccccc1CCCc1ccccc1Cl>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Benzylamine_primary
-snar_amine	2988	Cc1ccccc1Cl.NCc1cnccc1CCCc1ccccc1Cl>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.HeteroBenzylamine_primary
+snar_amine	2953	Cc1ccccc1Cl.NCCNCCCCc1ccccc1Cl>>Cc1ccccc1N(CCN)CCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	2954	Cc1ccccc1Cl.CNC=CNCCCCc1ccccc1Cl>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	2955	Cc1ccccc1Cl.CNC=CNC=CCCc1ccccc1Cl>>CNC=CN(C=CCCc1ccccc1Cl)c1ccccc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	2956	Cc1ccccc1Cl.Clc1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	2957	Cc1ccccc1Cl.Clc1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	2958	Cc1ccccc1Cl.Clc1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	2959	Cc1ccccc1Cl.NCCNCCCc1ccccc1Cl>>Cc1ccccc1NCCNCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_SaturatedAliphatic
+snar_amine	2960	Cc1ccccc1Cl.NC=CNCCCc1ccccc1Cl>>Cc1ccccc1NC=CNCCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_UnsaturatedAliphatic
+snar_amine	2961	Cc1ccccc1Cl.Nc1ccccc1Nc1ccc(CCc2ccccc2Cl)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
+snar_amine	2962	Cc1ccccc1Cl.Clc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	2963	Cc1ccccc1Cl.Clc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	2964	Cc1ccccc1Cl.Clc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
+snar_amine	2965	Cc1ccccc1Cl.Clc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	2966	Cc1ccccc1Cl.Clc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	2967	Cc1ccccc1Cl.Nc1cccc(CCc2ccccc2Cl)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Phe
+snar_amine	2968	Cc1ccccc1Cl.Nc1cc2ccc(CCc3ccccc3Cl)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_PhePhe
+snar_amine	2969	Cc1ccccc1Cl.CC(Cc1ccccc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	2970	Cc1ccccc1Cl.Nc1cnccc1Nc1cncc(CCc2ccccc2Cl)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	2971	Cc1ccccc1Cl.Clc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	2972	Cc1ccccc1Cl.Clc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	2973	Cc1ccccc1Cl.Clc1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	2974	Cc1ccccc1Cl.Clc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	2975	Cc1ccccc1Cl.Clc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	2976	Cc1ccccc1Cl.Clc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	2977	Cc1ccccc1Cl.Nc1occ(CCc2ccccc2Cl)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5
+snar_amine	2978	Cc1ccccc1Cl.Nc1oc2c(CCc3ccccc3Cl)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5Het5
+snar_amine	2979	Cc1ccccc1Cl.Nc1oc2cc(CCc3ccccc3Cl)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5Het6
+snar_amine	2980	Cc1ccccc1Cl.Nc1oc2ccc(CCc3ccccc3Cl)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het5Phe
+snar_amine	2981	Cc1ccccc1Cl.Nc1nccc(CCc2ccccc2Cl)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6
+snar_amine	2982	Cc1ccccc1Cl.Nc1c(Cc2ccccc2Cl)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6Het5
+snar_amine	2983	Cc1ccccc1Cl.Nc1ncc2cc(CCc3ccccc3Cl)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6Het6
+snar_amine	2984	Cc1ccccc1Cl.Nc1ncc2ccc(CCc3ccccc3Cl)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_Het6Phe
+snar_amine	2985	Cc1ccccc1Cl.Nc1c(Cc2ccccc2Cl)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_PheHet5
+snar_amine	2986	Cc1ccccc1Cl.Nc1cc2cncc(CCc3ccccc3Cl)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Amine_Primary_PheHet6
+snar_amine	2987	Cc1ccccc1Cl.NCc1ccccc1CCCc1ccccc1Cl>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.Benzylamine_primary
+snar_amine	2988	Cc1ccccc1Cl.NCc1cnccc1CCCc1ccccc1Cl>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Phe.HeteroBenzylamine_primary
 snar_amine	2989	Cc1c(Cl)ccc2ccccc12.NCCNCCCCc1c(Cl)ccc2ccccc12>>Cc1c(N(CCN)CCCCc2c(Cl)ccc3ccccc23)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 snar_amine	2990	Cc1c(Cl)ccc2ccccc12.CNC=CNCCCCc1c(Cl)ccc2ccccc12>>Cc1c(N(C)C=CNCCCCc2c(Cl)ccc3ccccc23)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 snar_amine	2991	Cc1c(Cl)ccc2ccccc12.CNC=CNC=CCCc1c(Cl)ccc2ccccc12>>CNC=CN(C=CCCc1c(Cl)ccc2ccccc12)c1ccc2ccccc2c1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -3001,7 +3001,7 @@ snar_amine	2999	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CN
 snar_amine	3000	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)ccc4ccccc34)Cc3ccccc32)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3001	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)ccc5ccccc45)cc32)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3002	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)ccc5ccccc45)cc32)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3003	Cc1c(Cl)ccc2ccccc12.Nc1cccc(CCc2c(Cl)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ccc4ccccc34)c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Phe
+snar_amine	3003	Cc1c(Cl)ccc2ccccc12.Nc1cccc(CCc2c(Cl)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ccc4ccccc34)c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Phe
 snar_amine	3004	Cc1c(Cl)ccc2ccccc12.Nc1cc2ccc(CCc3c(Cl)ccc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)ccc5ccccc45)cc3cc2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_PhePhe
 snar_amine	3005	Cc1c(Cl)ccc2ccccc12.CC(Cc1c(Cl)ccc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)ccc4ccccc34)cc2)c2ccncc2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3006	Cc1c(Cl)ccc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)ccc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)ccc4ccccc34)c2)c2ccncc2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3011,11 +3011,11 @@ snar_amine	3009	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc
 snar_amine	3010	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)ccc4ccccc34)Cc3ccncc32)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3011	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)ccc5ccccc45)cc32)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3012	Cc1c(Cl)ccc2ccccc12.Clc1ccc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)ccc5ccccc45)cc32)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3013	Cc1c(Cl)ccc2ccccc12.Nc1occ(CCc2c(Cl)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ccc4ccccc34)c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het5
+snar_amine	3013	Cc1c(Cl)ccc2ccccc12.Nc1occ(CCc2c(Cl)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ccc4ccccc34)c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het5
 snar_amine	3014	Cc1c(Cl)ccc2ccccc12.Nc1oc2c(CCc3c(Cl)ccc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)ccc5ccccc45)occ3c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het5Het5
 snar_amine	3015	Cc1c(Cl)ccc2ccccc12.Nc1oc2cc(CCc3c(Cl)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het5Het6
 snar_amine	3016	Cc1c(Cl)ccc2ccccc12.Nc1oc2ccc(CCc3c(Cl)ccc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)ccc5ccccc45)cc3c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het5Phe
-snar_amine	3017	Cc1c(Cl)ccc2ccccc12.Nc1nccc(CCc2c(Cl)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ccc4ccccc34)c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het6
+snar_amine	3017	Cc1c(Cl)ccc2ccccc12.Nc1nccc(CCc2c(Cl)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ccc4ccccc34)c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het6
 snar_amine	3018	Cc1c(Cl)ccc2ccccc12.Nc1c(Cc2c(Cl)ccc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)ccc4ccccc34)nc3cocc3c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het6Het5
 snar_amine	3019	Cc1c(Cl)ccc2ccccc12.Nc1ncc2cc(CCc3c(Cl)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het6Het6
 snar_amine	3020	Cc1c(Cl)ccc2ccccc12.Nc1ncc2ccc(CCc3c(Cl)ccc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)ccc5ccccc45)cc3c2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_Het6Phe
@@ -3023,42 +3023,42 @@ snar_amine	3021	Cc1c(Cl)ccc2ccccc12.Nc1c(Cc2c(Cl)ccc3ccccc23)cc2cocc2c1N>>Cc1c(N
 snar_amine	3022	Cc1c(Cl)ccc2ccccc12.Nc1cc2cncc(CCc3c(Cl)ccc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(Cl)ccc5ccccc45)c3cc2N)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Amine_Primary_PheHet6
 snar_amine	3023	Cc1c(Cl)ccc2ccccc12.NCc1ccccc1CCCc1c(Cl)ccc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(Cl)ccc3ccccc23)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.Benzylamine_primary
 snar_amine	3024	Cc1c(Cl)ccc2ccccc12.NCc1cnccc1CCCc1c(Cl)ccc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(Cl)ccc3ccccc23)ccc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PhePhe.HeteroBenzylamine_primary
-snar_amine	3025	Cc1cocc1Cl.NCCNCCCCc1cocc1Cl>>Cc1cocc1N(CCN)CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3026	Cc1cocc1Cl.CNC=CNCCCCc1cocc1Cl>>Cc1cocc1N(C)C=CNCCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3027	Cc1cocc1Cl.CNC=CNC=CCCc1cocc1Cl>>CNC=CN(C=CCCc1cocc1Cl)c1cocc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3028	Cc1cocc1Cl.Clc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3029	Cc1cocc1Cl.Clc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3030	Cc1cocc1Cl.Clc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3031	Cc1cocc1Cl.NCCNCCCc1cocc1Cl>>Cc1cocc1NCCNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_SaturatedAliphatic
-snar_amine	3032	Cc1cocc1Cl.NC=CNCCCc1cocc1Cl>>Cc1cocc1NC=CNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_UnsaturatedAliphatic
-snar_amine	3033	Cc1cocc1Cl.Nc1ccccc1Nc1ccc(CCc2cocc2Cl)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
-snar_amine	3034	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3035	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3036	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
-snar_amine	3037	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3038	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3039	Cc1cocc1Cl.Nc1cccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Phe
-snar_amine	3040	Cc1cocc1Cl.Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PhePhe
-snar_amine	3041	Cc1cocc1Cl.CC(Cc1cocc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3042	Cc1cocc1Cl.Nc1cnccc1Nc1cncc(CCc2cocc2Cl)c1>>Cc1cocc1N(c1cncc(CCc2cocc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3043	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3044	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3045	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3046	Cc1cocc1Cl.Clc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3047	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3048	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3049	Cc1cocc1Cl.Nc1occ(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1occ(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5
-snar_amine	3050	Cc1cocc1Cl.Nc1oc2c(CCc3cocc3Cl)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het5
-snar_amine	3051	Cc1cocc1Cl.Nc1oc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het6
-snar_amine	3052	Cc1cocc1Cl.Nc1oc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Phe
-snar_amine	3053	Cc1cocc1Cl.Nc1nccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6
-snar_amine	3054	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het5
-snar_amine	3055	Cc1cocc1Cl.Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het6
-snar_amine	3056	Cc1cocc1Cl.Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Phe
-snar_amine	3057	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet5
-snar_amine	3058	Cc1cocc1Cl.Nc1cc2cncc(CCc3cocc3Cl)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet6
-snar_amine	3059	Cc1cocc1Cl.NCc1ccccc1CCCc1cocc1Cl>>Cc1cocc1NCc1ccccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Benzylamine_primary
-snar_amine	3060	Cc1cocc1Cl.NCc1cnccc1CCCc1cocc1Cl>>Cc1cocc1NCc1cnccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.HeteroBenzylamine_primary
+snar_amine	3025	Cc1cocc1Cl.NCCNCCCCc1cocc1Cl>>Cc1cocc1N(CCN)CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3026	Cc1cocc1Cl.CNC=CNCCCCc1cocc1Cl>>Cc1cocc1N(C)C=CNCCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3027	Cc1cocc1Cl.CNC=CNC=CCCc1cocc1Cl>>CNC=CN(C=CCCc1cocc1Cl)c1cocc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3028	Cc1cocc1Cl.Clc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3029	Cc1cocc1Cl.Clc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3030	Cc1cocc1Cl.Clc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3031	Cc1cocc1Cl.NCCNCCCc1cocc1Cl>>Cc1cocc1NCCNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_SaturatedAliphatic
+snar_amine	3032	Cc1cocc1Cl.NC=CNCCCc1cocc1Cl>>Cc1cocc1NC=CNCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_UnsaturatedAliphatic
+snar_amine	3033	Cc1cocc1Cl.Nc1ccccc1Nc1ccc(CCc2cocc2Cl)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
+snar_amine	3034	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3035	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3036	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
+snar_amine	3037	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3038	Cc1cocc1Cl.Clc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3039	Cc1cocc1Cl.Nc1cccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Phe
+snar_amine	3040	Cc1cocc1Cl.Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PhePhe
+snar_amine	3041	Cc1cocc1Cl.CC(Cc1cocc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3042	Cc1cocc1Cl.Nc1cnccc1Nc1cncc(CCc2cocc2Cl)c1>>Cc1cocc1N(c1cncc(CCc2cocc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3043	Cc1cocc1Cl.Clc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3044	Cc1cocc1Cl.Clc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3045	Cc1cocc1Cl.Clc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3046	Cc1cocc1Cl.Clc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3047	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3048	Cc1cocc1Cl.Clc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3049	Cc1cocc1Cl.Nc1occ(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1occ(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5
+snar_amine	3050	Cc1cocc1Cl.Nc1oc2c(CCc3cocc3Cl)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het5
+snar_amine	3051	Cc1cocc1Cl.Nc1oc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Het6
+snar_amine	3052	Cc1cocc1Cl.Nc1oc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het5Phe
+snar_amine	3053	Cc1cocc1Cl.Nc1nccc(CCc2cocc2Cl)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6
+snar_amine	3054	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het5
+snar_amine	3055	Cc1cocc1Cl.Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Het6
+snar_amine	3056	Cc1cocc1Cl.Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_Het6Phe
+snar_amine	3057	Cc1cocc1Cl.Nc1c(Cc2cocc2Cl)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet5
+snar_amine	3058	Cc1cocc1Cl.Nc1cc2cncc(CCc3cocc3Cl)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Amine_Primary_PheHet6
+snar_amine	3059	Cc1cocc1Cl.NCc1ccccc1CCCc1cocc1Cl>>Cc1cocc1NCc1ccccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.Benzylamine_primary
+snar_amine	3060	Cc1cocc1Cl.NCc1cnccc1CCCc1cocc1Cl>>Cc1cocc1NCc1cnccc1CCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5.HeteroBenzylamine_primary
 snar_amine	3061	Cc1c(Cl)oc2cocc12.NCCNCCCCc1c(Cl)oc2cocc12>>Cc1c(N(CCN)CCCCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 snar_amine	3062	Cc1c(Cl)oc2cocc12.CNC=CNCCCCc1c(Cl)oc2cocc12>>Cc1c(N(C)C=CNCCCCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 snar_amine	3063	Cc1c(Cl)oc2cocc12.CNC=CNC=CCCc1c(Cl)oc2cocc12>>CNC=CN(C=CCCc1c(Cl)oc2cocc12)c1oc2cocc2c1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -3073,7 +3073,7 @@ snar_amine	3071	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2
 snar_amine	3072	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)oc4cocc34)Cc3ccccc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3073	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3074	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3075	Cc1c(Cl)oc2cocc12.Nc1cccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Phe
+snar_amine	3075	Cc1c(Cl)oc2cocc12.Nc1cccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Phe
 snar_amine	3076	Cc1c(Cl)oc2cocc12.Nc1cc2ccc(CCc3c(Cl)oc4cocc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)oc5cocc45)cc3cc2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_PhePhe
 snar_amine	3077	Cc1c(Cl)oc2cocc12.CC(Cc1c(Cl)oc2cocc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)oc4cocc34)cc2)c2ccncc2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3078	Cc1c(Cl)oc2cocc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)oc3cocc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)oc4cocc34)c2)c2ccncc2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3083,11 +3083,11 @@ snar_amine	3081	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N
 snar_amine	3082	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)oc4cocc34)Cc3ccncc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3083	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3084	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)oc5cocc45)cc32)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3085	Cc1c(Cl)oc2cocc12.Nc1occ(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5
+snar_amine	3085	Cc1c(Cl)oc2cocc12.Nc1occ(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5
 snar_amine	3086	Cc1c(Cl)oc2cocc12.Nc1oc2c(CCc3c(Cl)oc4cocc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)oc5cocc45)occ3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5Het5
 snar_amine	3087	Cc1c(Cl)oc2cocc12.Nc1oc2cc(CCc3c(Cl)oc4cocc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)oc5cocc45)ncc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5Het6
 snar_amine	3088	Cc1c(Cl)oc2cocc12.Nc1oc2ccc(CCc3c(Cl)oc4cocc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)oc5cocc45)cc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het5Phe
-snar_amine	3089	Cc1c(Cl)oc2cocc12.Nc1nccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6
+snar_amine	3089	Cc1c(Cl)oc2cocc12.Nc1nccc(CCc2c(Cl)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4cocc34)c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6
 snar_amine	3090	Cc1c(Cl)oc2cocc12.Nc1c(Cc2c(Cl)oc3cocc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)oc4cocc34)nc3cocc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6Het5
 snar_amine	3091	Cc1c(Cl)oc2cocc12.Nc1ncc2cc(CCc3c(Cl)oc4cocc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)oc5cocc45)ncc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6Het6
 snar_amine	3092	Cc1c(Cl)oc2cocc12.Nc1ncc2ccc(CCc3c(Cl)oc4cocc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)oc5cocc45)cc3c2N)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het5.Amine_Primary_Het6Phe
@@ -3109,7 +3109,7 @@ snar_amine	3107	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCC
 snar_amine	3108	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)oc4ccncc34)Cc3ccccc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3109	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3110	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3111	Cc1c(Cl)oc2ccncc12.Nc1cccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Phe
+snar_amine	3111	Cc1c(Cl)oc2ccncc12.Nc1cccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Phe
 snar_amine	3112	Cc1c(Cl)oc2ccncc12.Nc1cc2ccc(CCc3c(Cl)oc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)oc5ccncc45)cc3cc2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_PhePhe
 snar_amine	3113	Cc1c(Cl)oc2ccncc12.CC(Cc1c(Cl)oc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)oc4ccncc34)cc2)c2ccncc2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3114	Cc1c(Cl)oc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)oc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)oc4ccncc34)c2)c2ccncc2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3119,11 +3119,11 @@ snar_amine	3117	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 snar_amine	3118	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)oc4ccncc34)Cc3ccncc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3119	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3120	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)oc5ccncc45)cc32)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3121	Cc1c(Cl)oc2ccncc12.Nc1occ(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5
+snar_amine	3121	Cc1c(Cl)oc2ccncc12.Nc1occ(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5
 snar_amine	3122	Cc1c(Cl)oc2ccncc12.Nc1oc2c(CCc3c(Cl)oc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)oc5ccncc45)occ3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5Het5
 snar_amine	3123	Cc1c(Cl)oc2ccncc12.Nc1oc2cc(CCc3c(Cl)oc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)oc5ccncc45)ncc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5Het6
 snar_amine	3124	Cc1c(Cl)oc2ccncc12.Nc1oc2ccc(CCc3c(Cl)oc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)oc5ccncc45)cc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het5Phe
-snar_amine	3125	Cc1c(Cl)oc2ccncc12.Nc1nccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6
+snar_amine	3125	Cc1c(Cl)oc2ccncc12.Nc1nccc(CCc2c(Cl)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccncc34)c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6
 snar_amine	3126	Cc1c(Cl)oc2ccncc12.Nc1c(Cc2c(Cl)oc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)oc4ccncc34)nc3cocc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6Het5
 snar_amine	3127	Cc1c(Cl)oc2ccncc12.Nc1ncc2cc(CCc3c(Cl)oc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)oc5ccncc45)ncc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6Het6
 snar_amine	3128	Cc1c(Cl)oc2ccncc12.Nc1ncc2ccc(CCc3c(Cl)oc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)oc5ccncc45)cc3c2N)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Het6.Amine_Primary_Het6Phe
@@ -3145,7 +3145,7 @@ snar_amine	3143	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCC
 snar_amine	3144	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)oc4ccccc34)Cc3ccccc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3145	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3146	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3147	Cc1c(Cl)oc2ccccc12.Nc1cccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Phe
+snar_amine	3147	Cc1c(Cl)oc2ccccc12.Nc1cccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Phe
 snar_amine	3148	Cc1c(Cl)oc2ccccc12.Nc1cc2ccc(CCc3c(Cl)oc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)oc5ccccc45)cc3cc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_PhePhe
 snar_amine	3149	Cc1c(Cl)oc2ccccc12.CC(Cc1c(Cl)oc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)oc4ccccc34)cc2)c2ccncc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3150	Cc1c(Cl)oc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)oc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)oc4ccccc34)c2)c2ccncc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3155,11 +3155,11 @@ snar_amine	3153	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 snar_amine	3154	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)oc4ccccc34)Cc3ccncc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3155	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3156	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)oc5ccccc45)cc32)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3157	Cc1c(Cl)oc2ccccc12.Nc1occ(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5
+snar_amine	3157	Cc1c(Cl)oc2ccccc12.Nc1occ(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5
 snar_amine	3158	Cc1c(Cl)oc2ccccc12.Nc1oc2c(CCc3c(Cl)oc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)oc5ccccc45)occ3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5Het5
 snar_amine	3159	Cc1c(Cl)oc2ccccc12.Nc1oc2cc(CCc3c(Cl)oc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)oc5ccccc45)ncc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5Het6
 snar_amine	3160	Cc1c(Cl)oc2ccccc12.Nc1oc2ccc(CCc3c(Cl)oc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)oc5ccccc45)cc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het5Phe
-snar_amine	3161	Cc1c(Cl)oc2ccccc12.Nc1nccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6
+snar_amine	3161	Cc1c(Cl)oc2ccccc12.Nc1nccc(CCc2c(Cl)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)oc4ccccc34)c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6
 snar_amine	3162	Cc1c(Cl)oc2ccccc12.Nc1c(Cc2c(Cl)oc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)oc4ccccc34)nc3cocc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6Het5
 snar_amine	3163	Cc1c(Cl)oc2ccccc12.Nc1ncc2cc(CCc3c(Cl)oc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)oc5ccccc45)ncc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6Het6
 snar_amine	3164	Cc1c(Cl)oc2ccccc12.Nc1ncc2ccc(CCc3c(Cl)oc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)oc5ccccc45)cc3c2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_Het6Phe
@@ -3167,42 +3167,42 @@ snar_amine	3165	Cc1c(Cl)oc2ccccc12.Nc1c(Cc2c(Cl)oc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2
 snar_amine	3166	Cc1c(Cl)oc2ccccc12.Nc1cc2cncc(CCc3c(Cl)oc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(Cl)oc5ccccc45)c3cc2N)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Amine_Primary_PheHet6
 snar_amine	3167	Cc1c(Cl)oc2ccccc12.NCc1ccccc1CCCc1c(Cl)oc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.Benzylamine_primary
 snar_amine	3168	Cc1c(Cl)oc2ccccc12.NCc1cnccc1CCCc1c(Cl)oc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het5Phe.HeteroBenzylamine_primary
-snar_amine	3169	Cc1cnccc1Cl.NCCNCCCCc1cnccc1Cl>>Cc1cnccc1N(CCN)CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3170	Cc1cnccc1Cl.CNC=CNCCCCc1cnccc1Cl>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3171	Cc1cnccc1Cl.CNC=CNC=CCCc1cnccc1Cl>>CNC=CN(C=CCCc1cnccc1Cl)c1ccncc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3172	Cc1cnccc1Cl.Clc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3173	Cc1cnccc1Cl.Clc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3174	Cc1cnccc1Cl.Clc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3175	Cc1cnccc1Cl.NCCNCCCc1cnccc1Cl>>Cc1cnccc1NCCNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_SaturatedAliphatic
-snar_amine	3176	Cc1cnccc1Cl.NC=CNCCCc1cnccc1Cl>>Cc1cnccc1NC=CNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_UnsaturatedAliphatic
-snar_amine	3177	Cc1cnccc1Cl.Nc1ccccc1Nc1ccc(CCc2cnccc2Cl)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
-snar_amine	3178	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3179	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3180	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
-snar_amine	3181	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3182	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3183	Cc1cnccc1Cl.Nc1cccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Phe
-snar_amine	3184	Cc1cnccc1Cl.Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PhePhe
-snar_amine	3185	Cc1cnccc1Cl.CC(Cc1cnccc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3186	Cc1cnccc1Cl.Nc1cnccc1Nc1cncc(CCc2cnccc2Cl)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3187	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3188	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3189	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3190	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3191	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3192	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3193	Cc1cnccc1Cl.Nc1occ(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5
-snar_amine	3194	Cc1cnccc1Cl.Nc1oc2c(CCc3cnccc3Cl)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het5
-snar_amine	3195	Cc1cnccc1Cl.Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het6
-snar_amine	3196	Cc1cnccc1Cl.Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Phe
-snar_amine	3197	Cc1cnccc1Cl.Nc1nccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6
-snar_amine	3198	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het5
-snar_amine	3199	Cc1cnccc1Cl.Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het6
-snar_amine	3200	Cc1cnccc1Cl.Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Phe
-snar_amine	3201	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet5
-snar_amine	3202	Cc1cnccc1Cl.Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet6
-snar_amine	3203	Cc1cnccc1Cl.NCc1ccccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Benzylamine_primary
-snar_amine	3204	Cc1cnccc1Cl.NCc1cnccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.HeteroBenzylamine_primary
+snar_amine	3169	Cc1cnccc1Cl.NCCNCCCCc1cnccc1Cl>>Cc1cnccc1N(CCN)CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3170	Cc1cnccc1Cl.CNC=CNCCCCc1cnccc1Cl>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3171	Cc1cnccc1Cl.CNC=CNC=CCCc1cnccc1Cl>>CNC=CN(C=CCCc1cnccc1Cl)c1ccncc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3172	Cc1cnccc1Cl.Clc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3173	Cc1cnccc1Cl.Clc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3174	Cc1cnccc1Cl.Clc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2Cl)C=C1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3175	Cc1cnccc1Cl.NCCNCCCc1cnccc1Cl>>Cc1cnccc1NCCNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_SaturatedAliphatic
+snar_amine	3176	Cc1cnccc1Cl.NC=CNCCCc1cnccc1Cl>>Cc1cnccc1NC=CNCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_UnsaturatedAliphatic
+snar_amine	3177	Cc1cnccc1Cl.Nc1ccccc1Nc1ccc(CCc2cnccc2Cl)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2Cl)cc1)c1ccccc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
+snar_amine	3178	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3179	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccccc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3180	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
+snar_amine	3181	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3182	Cc1cnccc1Cl.Clc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3183	Cc1cnccc1Cl.Nc1cccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Phe
+snar_amine	3184	Cc1cnccc1Cl.Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PhePhe
+snar_amine	3185	Cc1cnccc1Cl.CC(Cc1cnccc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3186	Cc1cnccc1Cl.Nc1cnccc1Nc1cncc(CCc2cnccc2Cl)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3187	Cc1cnccc1Cl.Clc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3188	Cc1cnccc1Cl.Clc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1Cl)c1ccncc1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3189	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3190	Cc1cnccc1Cl.Clc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3191	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3192	Cc1cnccc1Cl.Clc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3193	Cc1cnccc1Cl.Nc1occ(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5
+snar_amine	3194	Cc1cnccc1Cl.Nc1oc2c(CCc3cnccc3Cl)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het5
+snar_amine	3195	Cc1cnccc1Cl.Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Het6
+snar_amine	3196	Cc1cnccc1Cl.Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het5Phe
+snar_amine	3197	Cc1cnccc1Cl.Nc1nccc(CCc2cnccc2Cl)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6
+snar_amine	3198	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het5
+snar_amine	3199	Cc1cnccc1Cl.Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Het6
+snar_amine	3200	Cc1cnccc1Cl.Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_Het6Phe
+snar_amine	3201	Cc1cnccc1Cl.Nc1c(Cc2cnccc2Cl)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2Cl)cc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet5
+snar_amine	3202	Cc1cnccc1Cl.Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3Cl)c2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Amine_Primary_PheHet6
+snar_amine	3203	Cc1cnccc1Cl.NCc1ccccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.Benzylamine_primary
+snar_amine	3204	Cc1cnccc1Cl.NCc1cnccc1CCCc1cnccc1Cl>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6.HeteroBenzylamine_primary
 snar_amine	3205	Cc1nc2cocc2cc1Cl.NCCNCCCCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1N(CCN)CCCCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 snar_amine	3206	Cc1nc2cocc2cc1Cl.CNC=CNCCCCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1N(C)C=CNCCCCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 snar_amine	3207	Cc1nc2cocc2cc1Cl.CNC=CNC=CCCc1nc2cocc2cc1Cl>>CNC=CN(C=CCCc1nc2cocc2cc1Cl)c1cc2cocc2nc1C	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -3217,7 +3217,7 @@ snar_amine	3215	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CCNC=CNc1ccccc1>>Cc1nc2cocc2cc1N
 snar_amine	3216	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1nc2cocc2cc1N1c2ccccc2CCC(Cc2nc3cocc3cc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3217	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ccc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3218	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ccc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3219	Cc1nc2cocc2cc1Cl.Nc1cccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Phe
+snar_amine	3219	Cc1nc2cocc2cc1Cl.Nc1cccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Phe
 snar_amine	3220	Cc1nc2cocc2cc1Cl.Nc1cc2ccc(CCc3nc4cocc4cc3Cl)cc2cc1N>>Cc1nc2cocc2cc1Nc1cc2ccc(CCc3nc4cocc4cc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_PhePhe
 snar_amine	3221	Cc1nc2cocc2cc1Cl.CC(Cc1nc2cocc2cc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1nc2cocc2cc1N(c1ccc(C(C)Cc2nc3cocc3cc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3222	Cc1nc2cocc2cc1Cl.Nc1cnccc1Nc1cncc(CCc2nc3cocc3cc2Cl)c1>>Cc1nc2cocc2cc1N(c1cncc(CCc2nc3cocc3cc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3227,11 +3227,11 @@ snar_amine	3225	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1nc2
 snar_amine	3226	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1nc2cocc2cc1N1c2ccncc2CCC(Cc2nc3cocc3cc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3227	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ncc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3228	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ncc(Cc3nc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3229	Cc1nc2cocc2cc1Cl.Nc1occ(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5
+snar_amine	3229	Cc1nc2cocc2cc1Cl.Nc1occ(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5
 snar_amine	3230	Cc1nc2cocc2cc1Cl.Nc1oc2c(CCc3nc4cocc4cc3Cl)occ2c1N>>Cc1nc2cocc2cc1Nc1oc2c(CCc3nc4cocc4cc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5Het5
 snar_amine	3231	Cc1nc2cocc2cc1Cl.Nc1oc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N>>Cc1nc2cocc2cc1Nc1oc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5Het6
 snar_amine	3232	Cc1nc2cocc2cc1Cl.Nc1oc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N>>Cc1nc2cocc2cc1Nc1oc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het5Phe
-snar_amine	3233	Cc1nc2cocc2cc1Cl.Nc1nccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6
+snar_amine	3233	Cc1nc2cocc2cc1Cl.Nc1nccc(CCc2nc3cocc3cc2Cl)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6
 snar_amine	3234	Cc1nc2cocc2cc1Cl.Nc1c(Cc2nc3cocc3cc2Cl)nc2cocc2c1N>>Cc1nc2cocc2cc1Nc1c(Cc2nc3cocc3cc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6Het5
 snar_amine	3235	Cc1nc2cocc2cc1Cl.Nc1ncc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N>>Cc1nc2cocc2cc1Nc1ncc2cc(CCc3nc4cocc4cc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6Het6
 snar_amine	3236	Cc1nc2cocc2cc1Cl.Nc1ncc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N>>Cc1nc2cocc2cc1Nc1ncc2ccc(CCc3nc4cocc4cc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het5.Amine_Primary_Het6Phe
@@ -3253,7 +3253,7 @@ snar_amine	3251	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CN
 snar_amine	3252	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)ncc4ccncc34)Cc3ccccc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3253	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3254	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3255	Cc1c(Cl)ncc2ccncc12.Nc1cccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Phe
+snar_amine	3255	Cc1c(Cl)ncc2ccncc12.Nc1cccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Phe
 snar_amine	3256	Cc1c(Cl)ncc2ccncc12.Nc1cc2ccc(CCc3c(Cl)ncc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)ncc5ccncc45)cc3cc2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_PhePhe
 snar_amine	3257	Cc1c(Cl)ncc2ccncc12.CC(Cc1c(Cl)ncc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)ncc4ccncc34)cc2)c2ccncc2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3258	Cc1c(Cl)ncc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)ncc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)ncc4ccncc34)c2)c2ccncc2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3263,11 +3263,11 @@ snar_amine	3261	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc
 snar_amine	3262	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)ncc4ccncc34)Cc3ccncc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3263	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3264	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)ncc5ccncc45)cc32)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3265	Cc1c(Cl)ncc2ccncc12.Nc1occ(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5
+snar_amine	3265	Cc1c(Cl)ncc2ccncc12.Nc1occ(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5
 snar_amine	3266	Cc1c(Cl)ncc2ccncc12.Nc1oc2c(CCc3c(Cl)ncc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)ncc5ccncc45)occ3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5Het5
 snar_amine	3267	Cc1c(Cl)ncc2ccncc12.Nc1oc2cc(CCc3c(Cl)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5Het6
 snar_amine	3268	Cc1c(Cl)ncc2ccncc12.Nc1oc2ccc(CCc3c(Cl)ncc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)ncc5ccncc45)cc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het5Phe
-snar_amine	3269	Cc1c(Cl)ncc2ccncc12.Nc1nccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6
+snar_amine	3269	Cc1c(Cl)ncc2ccncc12.Nc1nccc(CCc2c(Cl)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccncc34)c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6
 snar_amine	3270	Cc1c(Cl)ncc2ccncc12.Nc1c(Cc2c(Cl)ncc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)ncc4ccncc34)nc3cocc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6Het5
 snar_amine	3271	Cc1c(Cl)ncc2ccncc12.Nc1ncc2cc(CCc3c(Cl)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6Het6
 snar_amine	3272	Cc1c(Cl)ncc2ccncc12.Nc1ncc2ccc(CCc3c(Cl)ncc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)ncc5ccncc45)cc3c2N)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Het6.Amine_Primary_Het6Phe
@@ -3289,7 +3289,7 @@ snar_amine	3287	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CN
 snar_amine	3288	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(Cl)ncc4ccccc34)Cc3ccccc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3289	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3290	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3291	Cc1c(Cl)ncc2ccccc12.Nc1cccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Phe
+snar_amine	3291	Cc1c(Cl)ncc2ccccc12.Nc1cccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Phe
 snar_amine	3292	Cc1c(Cl)ncc2ccccc12.Nc1cc2ccc(CCc3c(Cl)ncc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(Cl)ncc5ccccc45)cc3cc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_PhePhe
 snar_amine	3293	Cc1c(Cl)ncc2ccccc12.CC(Cc1c(Cl)ncc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(Cl)ncc4ccccc34)cc2)c2ccncc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3294	Cc1c(Cl)ncc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(Cl)ncc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(Cl)ncc4ccccc34)c2)c2ccncc2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3299,11 +3299,11 @@ snar_amine	3297	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc
 snar_amine	3298	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(Cl)ncc4ccccc34)Cc3ccncc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3299	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3300	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(Cl)ncc5ccccc45)cc32)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3301	Cc1c(Cl)ncc2ccccc12.Nc1occ(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5
+snar_amine	3301	Cc1c(Cl)ncc2ccccc12.Nc1occ(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5
 snar_amine	3302	Cc1c(Cl)ncc2ccccc12.Nc1oc2c(CCc3c(Cl)ncc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(Cl)ncc5ccccc45)occ3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5Het5
 snar_amine	3303	Cc1c(Cl)ncc2ccccc12.Nc1oc2cc(CCc3c(Cl)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(Cl)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5Het6
 snar_amine	3304	Cc1c(Cl)ncc2ccccc12.Nc1oc2ccc(CCc3c(Cl)ncc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(Cl)ncc5ccccc45)cc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het5Phe
-snar_amine	3305	Cc1c(Cl)ncc2ccccc12.Nc1nccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6
+snar_amine	3305	Cc1c(Cl)ncc2ccccc12.Nc1nccc(CCc2c(Cl)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(Cl)ncc4ccccc34)c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6
 snar_amine	3306	Cc1c(Cl)ncc2ccccc12.Nc1c(Cc2c(Cl)ncc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(Cl)ncc4ccccc34)nc3cocc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6Het5
 snar_amine	3307	Cc1c(Cl)ncc2ccccc12.Nc1ncc2cc(CCc3c(Cl)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(Cl)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6Het6
 snar_amine	3308	Cc1c(Cl)ncc2ccccc12.Nc1ncc2ccc(CCc3c(Cl)ncc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(Cl)ncc5ccccc45)cc3c2N)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_Het6Phe.Amine_Primary_Het6Phe
@@ -3325,7 +3325,7 @@ snar_amine	3323	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1CCNC=CNc1ccccc1>>Cc1cc2cocc2cc1N
 snar_amine	3324	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cc2cocc2cc1N1c2ccccc2CCC(Cc2cc3cocc3cc2Cl)Cc2ccccc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3325	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1Cc1ccc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ccc(Cc3cc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3326	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1Cc1ccc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ccc(Cc3cc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3327	Cc1cc2cocc2cc1Cl.Nc1cccc(CCc2cc3cocc3cc2Cl)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Phe
+snar_amine	3327	Cc1cc2cocc2cc1Cl.Nc1cccc(CCc2cc3cocc3cc2Cl)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Phe
 snar_amine	3328	Cc1cc2cocc2cc1Cl.Nc1cc2ccc(CCc3cc4cocc4cc3Cl)cc2cc1N>>Cc1cc2cocc2cc1Nc1cc2ccc(CCc3cc4cocc4cc3Cl)cc2cc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_PhePhe
 snar_amine	3329	Cc1cc2cocc2cc1Cl.CC(Cc1cc2cocc2cc1Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cc2cocc2cc1N(c1ccc(C(C)Cc2cc3cocc3cc2Cl)cc1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3330	Cc1cc2cocc2cc1Cl.Nc1cnccc1Nc1cncc(CCc2cc3cocc3cc2Cl)c1>>Cc1cc2cocc2cc1N(c1cncc(CCc2cc3cocc3cc2Cl)c1)c1ccncc1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3335,11 +3335,11 @@ snar_amine	3333	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cc2
 snar_amine	3334	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cc2cocc2cc1N1c2ccncc2CCC(Cc2cc3cocc3cc2Cl)Cc2ccncc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3335	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1Cc1cnc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ncc(Cc3cc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3336	Cc1cc2cocc2cc1Cl.Clc1cc2cocc2cc1Cc1cnc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ncc(Cc3cc4cocc4cc3Cl)cc21	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3337	Cc1cc2cocc2cc1Cl.Nc1occ(CCc2cc3cocc3cc2Cl)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het5
+snar_amine	3337	Cc1cc2cocc2cc1Cl.Nc1occ(CCc2cc3cocc3cc2Cl)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het5
 snar_amine	3338	Cc1cc2cocc2cc1Cl.Nc1oc2c(CCc3cc4cocc4cc3Cl)occ2c1N>>Cc1cc2cocc2cc1Nc1oc2c(CCc3cc4cocc4cc3Cl)occ2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het5Het5
 snar_amine	3339	Cc1cc2cocc2cc1Cl.Nc1oc2cc(CCc3cc4cocc4cc3Cl)ncc2c1N>>Cc1cc2cocc2cc1Nc1oc2cc(CCc3cc4cocc4cc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het5Het6
 snar_amine	3340	Cc1cc2cocc2cc1Cl.Nc1oc2ccc(CCc3cc4cocc4cc3Cl)cc2c1N>>Cc1cc2cocc2cc1Nc1oc2ccc(CCc3cc4cocc4cc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het5Phe
-snar_amine	3341	Cc1cc2cocc2cc1Cl.Nc1nccc(CCc2cc3cocc3cc2Cl)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het6
+snar_amine	3341	Cc1cc2cocc2cc1Cl.Nc1nccc(CCc2cc3cocc3cc2Cl)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2Cl)c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het6
 snar_amine	3342	Cc1cc2cocc2cc1Cl.Nc1c(Cc2cc3cocc3cc2Cl)nc2cocc2c1N>>Cc1cc2cocc2cc1Nc1c(Cc2cc3cocc3cc2Cl)nc2cocc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het6Het5
 snar_amine	3343	Cc1cc2cocc2cc1Cl.Nc1ncc2cc(CCc3cc4cocc4cc3Cl)ncc2c1N>>Cc1cc2cocc2cc1Nc1ncc2cc(CCc3cc4cocc4cc3Cl)ncc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het6Het6
 snar_amine	3344	Cc1cc2cocc2cc1Cl.Nc1ncc2ccc(CCc3cc4cocc4cc3Cl)cc2c1N>>Cc1cc2cocc2cc1Nc1ncc2ccc(CCc3cc4cocc4cc3Cl)cc2c1N	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet5.Amine_Primary_Het6Phe
@@ -3361,7 +3361,7 @@ snar_amine	3359	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCCNC=CNc1ccccc1>>CCc1c(N(C
 snar_amine	3360	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1c(N2c3ccccc3CCC(CCc3c(Cl)ccc4ccncc34)Cc3ccccc32)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3361	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCc1ccc2c(c1)NCCC2>>CCc1c(N2CCCc3ccc(CCc4c(Cl)ccc5ccncc45)cc32)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3362	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCc1ccc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ccc(CCc4c(Cl)ccc5ccncc45)cc32)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3363	CCc1c(Cl)ccc2ccncc12.Nc1cccc(CCCc2c(Cl)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(Cl)ccc4ccncc34)c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Phe
+snar_amine	3363	CCc1c(Cl)ccc2ccncc12.Nc1cccc(CCCc2c(Cl)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(Cl)ccc4ccncc34)c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Phe
 snar_amine	3364	CCc1c(Cl)ccc2ccncc12.Nc1cc2ccc(CCCc3c(Cl)ccc4ccncc34)cc2cc1N>>CCc1c(Nc2cc3ccc(CCCc4c(Cl)ccc5ccncc45)cc3cc2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_PhePhe
 snar_amine	3365	CCc1c(Cl)ccc2ccncc12.CC(CCc1c(Cl)ccc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>CCc1c(N(c2ccc(C(C)CCc3c(Cl)ccc4ccncc34)cc2)c2ccncc2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3366	CCc1c(Cl)ccc2ccncc12.Nc1cnccc1Nc1cncc(CCCc2c(Cl)ccc3ccncc23)c1>>CCc1c(N(c2cncc(CCCc3c(Cl)ccc4ccncc34)c2)c2ccncc2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3371,11 +3371,11 @@ snar_amine	3369	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCC1CCc2ccncc2Nc2ccccc2C1>>
 snar_amine	3370	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1c(N2c3ccncc3CCC(CCc3c(Cl)ccc4ccncc34)Cc3ccncc32)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3371	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCc1cnc2c(c1)NCCC2>>CCc1c(N2CCCc3ncc(CCc4c(Cl)ccc5ccncc45)cc32)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3372	CCc1c(Cl)ccc2ccncc12.Clc1ccc2ccncc2c1CCc1cnc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ncc(CCc4c(Cl)ccc5ccncc45)cc32)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Chloride_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3373	CCc1c(Cl)ccc2ccncc12.Nc1occ(CCCc2c(Cl)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(Cl)ccc4ccncc34)c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het5
+snar_amine	3373	CCc1c(Cl)ccc2ccncc12.Nc1occ(CCCc2c(Cl)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(Cl)ccc4ccncc34)c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het5
 snar_amine	3374	CCc1c(Cl)ccc2ccncc12.Nc1oc2c(CCCc3c(Cl)ccc4ccncc34)occ2c1N>>CCc1c(Nc2oc3c(CCCc4c(Cl)ccc5ccncc45)occ3c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het5Het5
 snar_amine	3375	CCc1c(Cl)ccc2ccncc12.Nc1oc2cc(CCCc3c(Cl)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2oc3cc(CCCc4c(Cl)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het5Het6
 snar_amine	3376	CCc1c(Cl)ccc2ccncc12.Nc1oc2ccc(CCCc3c(Cl)ccc4ccncc34)cc2c1N>>CCc1c(Nc2oc3ccc(CCCc4c(Cl)ccc5ccncc45)cc3c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het5Phe
-snar_amine	3377	CCc1c(Cl)ccc2ccncc12.Nc1nccc(CCCc2c(Cl)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(Cl)ccc4ccncc34)c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het6
+snar_amine	3377	CCc1c(Cl)ccc2ccncc12.Nc1nccc(CCCc2c(Cl)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(Cl)ccc4ccncc34)c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het6
 snar_amine	3378	CCc1c(Cl)ccc2ccncc12.Nc1c(CCc2c(Cl)ccc3ccncc23)nc2cocc2c1N>>CCc1c(Nc2c(CCc3c(Cl)ccc4ccncc34)nc3cocc3c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het6Het5
 snar_amine	3379	CCc1c(Cl)ccc2ccncc12.Nc1ncc2cc(CCCc3c(Cl)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2ncc3cc(CCCc4c(Cl)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het6Het6
 snar_amine	3380	CCc1c(Cl)ccc2ccncc12.Nc1ncc2ccc(CCCc3c(Cl)ccc4ccncc34)cc2c1N>>CCc1c(Nc2ncc3ccc(CCCc4c(Cl)ccc5ccncc45)cc3c2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_Het6Phe
@@ -3383,42 +3383,42 @@ snar_amine	3381	CCc1c(Cl)ccc2ccncc12.Nc1c(CCc2c(Cl)ccc3ccncc23)cc2cocc2c1N>>CCc1
 snar_amine	3382	CCc1c(Cl)ccc2ccncc12.Nc1cc2cncc(CCCc3c(Cl)ccc4ccncc34)c2cc1N>>CCc1c(Nc2cc3cncc(CCCc4c(Cl)ccc5ccncc45)c3cc2N)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Amine_Primary_PheHet6
 snar_amine	3383	CCc1c(Cl)ccc2ccncc12.NCc1ccccc1CCCCc1c(Cl)ccc2ccncc12>>CCc1c(NCc2ccccc2CCCCc2c(Cl)ccc3ccncc23)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.Benzylamine_primary
 snar_amine	3384	CCc1c(Cl)ccc2ccncc12.NCc1cnccc1CCCCc1c(Cl)ccc2ccncc12>>CCc1c(NCc2cnccc2CCCCc2c(Cl)ccc3ccncc23)ccc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Chloride_PheHet6.HeteroBenzylamine_primary
-snar_amine	3385	Cc1ccccc1F.NCCNCCCCc1ccccc1F>>Cc1ccccc1N(CCN)CCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3386	Cc1ccccc1F.CNC=CNCCCCc1ccccc1F>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3387	Cc1ccccc1F.CNC=CNC=CCCc1ccccc1F>>CNC=CN(C=CCCc1ccccc1F)c1ccccc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3388	Cc1ccccc1F.Fc1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3389	Cc1ccccc1F.Fc1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3390	Cc1ccccc1F.Fc1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2F)C=C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3391	Cc1ccccc1F.NCCNCCCc1ccccc1F>>Cc1ccccc1NCCNCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_SaturatedAliphatic
-snar_amine	3392	Cc1ccccc1F.NC=CNCCCc1ccccc1F>>Cc1ccccc1NC=CNCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_UnsaturatedAliphatic
-snar_amine	3393	Cc1ccccc1F.Nc1ccccc1Nc1ccc(CCc2ccccc2F)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2F)cc1)c1ccccc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
-snar_amine	3394	Cc1ccccc1F.Fc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3395	Cc1ccccc1F.Fc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3396	Cc1ccccc1F.Fc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
-snar_amine	3397	Cc1ccccc1F.Fc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3398	Cc1ccccc1F.Fc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3399	Cc1ccccc1F.Nc1cccc(CCc2ccccc2F)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Phe
-snar_amine	3400	Cc1ccccc1F.Nc1cc2ccc(CCc3ccccc3F)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_PhePhe
-snar_amine	3401	Cc1ccccc1F.CC(Cc1ccccc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3402	Cc1ccccc1F.Nc1cnccc1Nc1cncc(CCc2ccccc2F)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3403	Cc1ccccc1F.Fc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3404	Cc1ccccc1F.Fc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3405	Cc1ccccc1F.Fc1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3406	Cc1ccccc1F.Fc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3407	Cc1ccccc1F.Fc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3408	Cc1ccccc1F.Fc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3409	Cc1ccccc1F.Nc1occ(CCc2ccccc2F)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5
-snar_amine	3410	Cc1ccccc1F.Nc1oc2c(CCc3ccccc3F)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5Het5
-snar_amine	3411	Cc1ccccc1F.Nc1oc2cc(CCc3ccccc3F)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5Het6
-snar_amine	3412	Cc1ccccc1F.Nc1oc2ccc(CCc3ccccc3F)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5Phe
-snar_amine	3413	Cc1ccccc1F.Nc1nccc(CCc2ccccc2F)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6
-snar_amine	3414	Cc1ccccc1F.Nc1c(Cc2ccccc2F)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6Het5
-snar_amine	3415	Cc1ccccc1F.Nc1ncc2cc(CCc3ccccc3F)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6Het6
-snar_amine	3416	Cc1ccccc1F.Nc1ncc2ccc(CCc3ccccc3F)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6Phe
-snar_amine	3417	Cc1ccccc1F.Nc1c(Cc2ccccc2F)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2F)cc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_PheHet5
-snar_amine	3418	Cc1ccccc1F.Nc1cc2cncc(CCc3ccccc3F)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3F)c2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_PheHet6
-snar_amine	3419	Cc1ccccc1F.NCc1ccccc1CCCc1ccccc1F>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Benzylamine_primary
-snar_amine	3420	Cc1ccccc1F.NCc1cnccc1CCCc1ccccc1F>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.HeteroBenzylamine_primary
+snar_amine	3385	Cc1ccccc1F.NCCNCCCCc1ccccc1F>>Cc1ccccc1N(CCN)CCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3386	Cc1ccccc1F.CNC=CNCCCCc1ccccc1F>>Cc1ccccc1N(C)C=CNCCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3387	Cc1ccccc1F.CNC=CNC=CCCc1ccccc1F>>CNC=CN(C=CCCc1ccccc1F)c1ccccc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3388	Cc1ccccc1F.Fc1ccccc1CCC1CCCNC1>>Cc1ccccc1N1CCCC(CCc2ccccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3389	Cc1ccccc1F.Fc1ccccc1CCC1CC=CNC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3390	Cc1ccccc1F.Fc1ccccc1CCC1C=CNC=CC1>>Cc1ccccc1N1C=CCC(CCc2ccccc2F)C=C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3391	Cc1ccccc1F.NCCNCCCc1ccccc1F>>Cc1ccccc1NCCNCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_SaturatedAliphatic
+snar_amine	3392	Cc1ccccc1F.NC=CNCCCc1ccccc1F>>Cc1ccccc1NC=CNCCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_UnsaturatedAliphatic
+snar_amine	3393	Cc1ccccc1F.Nc1ccccc1Nc1ccc(CCc2ccccc2F)cc1>>Cc1ccccc1N(c1ccc(CCc2ccccc2F)cc1)c1ccccc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_Aromatic-Aromatic
+snar_amine	3394	Cc1ccccc1F.Fc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1N(CCNCCc1ccccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3395	Cc1ccccc1F.Fc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1N(C=CNCCc1ccccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3396	Cc1ccccc1F.Fc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1N1c2ccccc2CCC(Cc2ccccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_Aromatic-Aromatic
+snar_amine	3397	Cc1ccccc1F.Fc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ccc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3398	Cc1ccccc1F.Fc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ccc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3399	Cc1ccccc1F.Nc1cccc(CCc2ccccc2F)c1N>>Cc1ccccc1Nc1cccc(CCc2ccccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Phe
+snar_amine	3400	Cc1ccccc1F.Nc1cc2ccc(CCc3ccccc3F)cc2cc1N>>Cc1ccccc1Nc1cc2ccc(CCc3ccccc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_PhePhe
+snar_amine	3401	Cc1ccccc1F.CC(Cc1ccccc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1N(c1ccc(C(C)Cc2ccccc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3402	Cc1ccccc1F.Nc1cnccc1Nc1cncc(CCc2ccccc2F)c1>>Cc1ccccc1N(c1cncc(CCc2ccccc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3403	Cc1ccccc1F.Fc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1N(CCNCCc1ccccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3404	Cc1ccccc1F.Fc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1N(C=CNCCc1ccccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3405	Cc1ccccc1F.Fc1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1ccccc1N1c2cnccc2CCC(Cc2ccccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3406	Cc1ccccc1F.Fc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1N1c2ccncc2CCC(Cc2ccccc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3407	Cc1ccccc1F.Fc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1N1CCCc2ncc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3408	Cc1ccccc1F.Fc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1N1C=CCc2ncc(Cc3ccccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3409	Cc1ccccc1F.Nc1occ(CCc2ccccc2F)c1N>>Cc1ccccc1Nc1occ(CCc2ccccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5
+snar_amine	3410	Cc1ccccc1F.Nc1oc2c(CCc3ccccc3F)occ2c1N>>Cc1ccccc1Nc1oc2c(CCc3ccccc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5Het5
+snar_amine	3411	Cc1ccccc1F.Nc1oc2cc(CCc3ccccc3F)ncc2c1N>>Cc1ccccc1Nc1oc2cc(CCc3ccccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5Het6
+snar_amine	3412	Cc1ccccc1F.Nc1oc2ccc(CCc3ccccc3F)cc2c1N>>Cc1ccccc1Nc1oc2ccc(CCc3ccccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het5Phe
+snar_amine	3413	Cc1ccccc1F.Nc1nccc(CCc2ccccc2F)c1N>>Cc1ccccc1Nc1nccc(CCc2ccccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6
+snar_amine	3414	Cc1ccccc1F.Nc1c(Cc2ccccc2F)nc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6Het5
+snar_amine	3415	Cc1ccccc1F.Nc1ncc2cc(CCc3ccccc3F)ncc2c1N>>Cc1ccccc1Nc1ncc2cc(CCc3ccccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6Het6
+snar_amine	3416	Cc1ccccc1F.Nc1ncc2ccc(CCc3ccccc3F)cc2c1N>>Cc1ccccc1Nc1ncc2ccc(CCc3ccccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_Het6Phe
+snar_amine	3417	Cc1ccccc1F.Nc1c(Cc2ccccc2F)cc2cocc2c1N>>Cc1ccccc1Nc1c(Cc2ccccc2F)cc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_PheHet5
+snar_amine	3418	Cc1ccccc1F.Nc1cc2cncc(CCc3ccccc3F)c2cc1N>>Cc1ccccc1Nc1cc2cncc(CCc3ccccc3F)c2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Amine_Primary_PheHet6
+snar_amine	3419	Cc1ccccc1F.NCc1ccccc1CCCc1ccccc1F>>Cc1ccccc1NCc1ccccc1CCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.Benzylamine_primary
+snar_amine	3420	Cc1ccccc1F.NCc1cnccc1CCCc1ccccc1F>>Cc1ccccc1NCc1cnccc1CCCc1ccccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Phe.HeteroBenzylamine_primary
 snar_amine	3421	Cc1c(F)ccc2ccccc12.NCCNCCCCc1c(F)ccc2ccccc12>>Cc1c(N(CCN)CCCCc2c(F)ccc3ccccc23)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 snar_amine	3422	Cc1c(F)ccc2ccccc12.CNC=CNCCCCc1c(F)ccc2ccccc12>>Cc1c(N(C)C=CNCCCCc2c(F)ccc3ccccc23)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 snar_amine	3423	Cc1c(F)ccc2ccccc12.CNC=CNC=CCCc1c(F)ccc2ccccc12>>CNC=CN(C=CCCc1c(F)ccc2ccccc12)c1ccc2ccccc2c1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -3433,7 +3433,7 @@ snar_amine	3431	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCC
 snar_amine	3432	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(F)ccc4ccccc34)Cc3ccccc32)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3433	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(F)ccc5ccccc45)cc32)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3434	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(F)ccc5ccccc45)cc32)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3435	Cc1c(F)ccc2ccccc12.Nc1cccc(CCc2c(F)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)ccc4ccccc34)c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Phe
+snar_amine	3435	Cc1c(F)ccc2ccccc12.Nc1cccc(CCc2c(F)ccc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)ccc4ccccc34)c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Phe
 snar_amine	3436	Cc1c(F)ccc2ccccc12.Nc1cc2ccc(CCc3c(F)ccc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(F)ccc5ccccc45)cc3cc2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_PhePhe
 snar_amine	3437	Cc1c(F)ccc2ccccc12.CC(Cc1c(F)ccc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(F)ccc4ccccc34)cc2)c2ccncc2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3438	Cc1c(F)ccc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(F)ccc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(F)ccc4ccccc34)c2)c2ccncc2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3443,11 +3443,11 @@ snar_amine	3441	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 snar_amine	3442	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(F)ccc4ccccc34)Cc3ccncc32)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3443	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(F)ccc5ccccc45)cc32)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3444	Cc1c(F)ccc2ccccc12.Fc1ccc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(F)ccc5ccccc45)cc32)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PhePhe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3445	Cc1c(F)ccc2ccccc12.Nc1occ(CCc2c(F)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(F)ccc4ccccc34)c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het5
+snar_amine	3445	Cc1c(F)ccc2ccccc12.Nc1occ(CCc2c(F)ccc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(F)ccc4ccccc34)c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het5
 snar_amine	3446	Cc1c(F)ccc2ccccc12.Nc1oc2c(CCc3c(F)ccc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(F)ccc5ccccc45)occ3c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het5Het5
 snar_amine	3447	Cc1c(F)ccc2ccccc12.Nc1oc2cc(CCc3c(F)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(F)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het5Het6
 snar_amine	3448	Cc1c(F)ccc2ccccc12.Nc1oc2ccc(CCc3c(F)ccc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(F)ccc5ccccc45)cc3c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het5Phe
-snar_amine	3449	Cc1c(F)ccc2ccccc12.Nc1nccc(CCc2c(F)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)ccc4ccccc34)c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het6
+snar_amine	3449	Cc1c(F)ccc2ccccc12.Nc1nccc(CCc2c(F)ccc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)ccc4ccccc34)c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het6
 snar_amine	3450	Cc1c(F)ccc2ccccc12.Nc1c(Cc2c(F)ccc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(F)ccc4ccccc34)nc3cocc3c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het6Het5
 snar_amine	3451	Cc1c(F)ccc2ccccc12.Nc1ncc2cc(CCc3c(F)ccc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(F)ccc5ccccc45)ncc3c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het6Het6
 snar_amine	3452	Cc1c(F)ccc2ccccc12.Nc1ncc2ccc(CCc3c(F)ccc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(F)ccc5ccccc45)cc3c2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_Het6Phe
@@ -3455,42 +3455,42 @@ snar_amine	3453	Cc1c(F)ccc2ccccc12.Nc1c(Cc2c(F)ccc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2
 snar_amine	3454	Cc1c(F)ccc2ccccc12.Nc1cc2cncc(CCc3c(F)ccc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(F)ccc5ccccc45)c3cc2N)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Amine_Primary_PheHet6
 snar_amine	3455	Cc1c(F)ccc2ccccc12.NCc1ccccc1CCCc1c(F)ccc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(F)ccc3ccccc23)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.Benzylamine_primary
 snar_amine	3456	Cc1c(F)ccc2ccccc12.NCc1cnccc1CCCc1c(F)ccc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(F)ccc3ccccc23)ccc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PhePhe.HeteroBenzylamine_primary
-snar_amine	3457	Cc1cocc1F.NCCNCCCCc1cocc1F>>Cc1cocc1N(CCN)CCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3458	Cc1cocc1F.CNC=CNCCCCc1cocc1F>>Cc1cocc1N(C)C=CNCCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3459	Cc1cocc1F.CNC=CNC=CCCc1cocc1F>>CNC=CN(C=CCCc1cocc1F)c1cocc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3460	Cc1cocc1F.Fc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3461	Cc1cocc1F.Fc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3462	Cc1cocc1F.Fc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2F)C=C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3463	Cc1cocc1F.NCCNCCCc1cocc1F>>Cc1cocc1NCCNCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_SaturatedAliphatic
-snar_amine	3464	Cc1cocc1F.NC=CNCCCc1cocc1F>>Cc1cocc1NC=CNCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_UnsaturatedAliphatic
-snar_amine	3465	Cc1cocc1F.Nc1ccccc1Nc1ccc(CCc2cocc2F)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2F)cc1)c1ccccc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
-snar_amine	3466	Cc1cocc1F.Fc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3467	Cc1cocc1F.Fc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3468	Cc1cocc1F.Fc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
-snar_amine	3469	Cc1cocc1F.Fc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3470	Cc1cocc1F.Fc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3471	Cc1cocc1F.Nc1cccc(CCc2cocc2F)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Phe
-snar_amine	3472	Cc1cocc1F.Nc1cc2ccc(CCc3cocc3F)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_PhePhe
-snar_amine	3473	Cc1cocc1F.CC(Cc1cocc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3474	Cc1cocc1F.Nc1cnccc1Nc1cncc(CCc2cocc2F)c1>>Cc1cocc1N(c1cncc(CCc2cocc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3475	Cc1cocc1F.Fc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3476	Cc1cocc1F.Fc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3477	Cc1cocc1F.Fc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3478	Cc1cocc1F.Fc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3479	Cc1cocc1F.Fc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3480	Cc1cocc1F.Fc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3481	Cc1cocc1F.Nc1occ(CCc2cocc2F)c1N>>Cc1cocc1Nc1occ(CCc2cocc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5
-snar_amine	3482	Cc1cocc1F.Nc1oc2c(CCc3cocc3F)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5Het5
-snar_amine	3483	Cc1cocc1F.Nc1oc2cc(CCc3cocc3F)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5Het6
-snar_amine	3484	Cc1cocc1F.Nc1oc2ccc(CCc3cocc3F)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5Phe
-snar_amine	3485	Cc1cocc1F.Nc1nccc(CCc2cocc2F)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6
-snar_amine	3486	Cc1cocc1F.Nc1c(Cc2cocc2F)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6Het5
-snar_amine	3487	Cc1cocc1F.Nc1ncc2cc(CCc3cocc3F)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6Het6
-snar_amine	3488	Cc1cocc1F.Nc1ncc2ccc(CCc3cocc3F)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6Phe
-snar_amine	3489	Cc1cocc1F.Nc1c(Cc2cocc2F)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2F)cc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_PheHet5
-snar_amine	3490	Cc1cocc1F.Nc1cc2cncc(CCc3cocc3F)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3F)c2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_PheHet6
-snar_amine	3491	Cc1cocc1F.NCc1ccccc1CCCc1cocc1F>>Cc1cocc1NCc1ccccc1CCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Benzylamine_primary
-snar_amine	3492	Cc1cocc1F.NCc1cnccc1CCCc1cocc1F>>Cc1cocc1NCc1cnccc1CCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.HeteroBenzylamine_primary
+snar_amine	3457	Cc1cocc1F.NCCNCCCCc1cocc1F>>Cc1cocc1N(CCN)CCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3458	Cc1cocc1F.CNC=CNCCCCc1cocc1F>>Cc1cocc1N(C)C=CNCCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3459	Cc1cocc1F.CNC=CNC=CCCc1cocc1F>>CNC=CN(C=CCCc1cocc1F)c1cocc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3460	Cc1cocc1F.Fc1cocc1CCC1CCCNC1>>Cc1cocc1N1CCCC(CCc2cocc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3461	Cc1cocc1F.Fc1cocc1CCC1CC=CNC1>>Cc1cocc1N1C=CCC(CCc2cocc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3462	Cc1cocc1F.Fc1cocc1CCC1C=CNC=CC1>>Cc1cocc1N1C=CCC(CCc2cocc2F)C=C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3463	Cc1cocc1F.NCCNCCCc1cocc1F>>Cc1cocc1NCCNCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_SaturatedAliphatic
+snar_amine	3464	Cc1cocc1F.NC=CNCCCc1cocc1F>>Cc1cocc1NC=CNCCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_UnsaturatedAliphatic
+snar_amine	3465	Cc1cocc1F.Nc1ccccc1Nc1ccc(CCc2cocc2F)cc1>>Cc1cocc1N(c1ccc(CCc2cocc2F)cc1)c1ccccc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_Aromatic-Aromatic
+snar_amine	3466	Cc1cocc1F.Fc1cocc1CCNCCNc1ccccc1>>Cc1cocc1N(CCNCCc1cocc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3467	Cc1cocc1F.Fc1cocc1CCNC=CNc1ccccc1>>Cc1cocc1N(C=CNCCc1cocc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3468	Cc1cocc1F.Fc1cocc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cocc1N1c2ccccc2CCC(Cc2cocc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_Aromatic-Aromatic
+snar_amine	3469	Cc1cocc1F.Fc1cocc1Cc1ccc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ccc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3470	Cc1cocc1F.Fc1cocc1Cc1ccc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ccc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3471	Cc1cocc1F.Nc1cccc(CCc2cocc2F)c1N>>Cc1cocc1Nc1cccc(CCc2cocc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Phe
+snar_amine	3472	Cc1cocc1F.Nc1cc2ccc(CCc3cocc3F)cc2cc1N>>Cc1cocc1Nc1cc2ccc(CCc3cocc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_PhePhe
+snar_amine	3473	Cc1cocc1F.CC(Cc1cocc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1cocc1N(c1ccc(C(C)Cc2cocc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3474	Cc1cocc1F.Nc1cnccc1Nc1cncc(CCc2cocc2F)c1>>Cc1cocc1N(c1cncc(CCc2cocc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3475	Cc1cocc1F.Fc1cocc1CCNCCNc1ccncc1>>Cc1cocc1N(CCNCCc1cocc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3476	Cc1cocc1F.Fc1cocc1CCNC=CNc1ccncc1>>Cc1cocc1N(C=CNCCc1cocc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3477	Cc1cocc1F.Fc1cocc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cocc1N1c2cnccc2CCC(Cc2cocc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3478	Cc1cocc1F.Fc1cocc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cocc1N1c2ccncc2CCC(Cc2cocc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3479	Cc1cocc1F.Fc1cocc1Cc1cnc2c(c1)NCCC2>>Cc1cocc1N1CCCc2ncc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3480	Cc1cocc1F.Fc1cocc1Cc1cnc2c(c1)NC=CC2>>Cc1cocc1N1C=CCc2ncc(Cc3cocc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3481	Cc1cocc1F.Nc1occ(CCc2cocc2F)c1N>>Cc1cocc1Nc1occ(CCc2cocc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5
+snar_amine	3482	Cc1cocc1F.Nc1oc2c(CCc3cocc3F)occ2c1N>>Cc1cocc1Nc1oc2c(CCc3cocc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5Het5
+snar_amine	3483	Cc1cocc1F.Nc1oc2cc(CCc3cocc3F)ncc2c1N>>Cc1cocc1Nc1oc2cc(CCc3cocc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5Het6
+snar_amine	3484	Cc1cocc1F.Nc1oc2ccc(CCc3cocc3F)cc2c1N>>Cc1cocc1Nc1oc2ccc(CCc3cocc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het5Phe
+snar_amine	3485	Cc1cocc1F.Nc1nccc(CCc2cocc2F)c1N>>Cc1cocc1Nc1nccc(CCc2cocc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6
+snar_amine	3486	Cc1cocc1F.Nc1c(Cc2cocc2F)nc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6Het5
+snar_amine	3487	Cc1cocc1F.Nc1ncc2cc(CCc3cocc3F)ncc2c1N>>Cc1cocc1Nc1ncc2cc(CCc3cocc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6Het6
+snar_amine	3488	Cc1cocc1F.Nc1ncc2ccc(CCc3cocc3F)cc2c1N>>Cc1cocc1Nc1ncc2ccc(CCc3cocc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_Het6Phe
+snar_amine	3489	Cc1cocc1F.Nc1c(Cc2cocc2F)cc2cocc2c1N>>Cc1cocc1Nc1c(Cc2cocc2F)cc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_PheHet5
+snar_amine	3490	Cc1cocc1F.Nc1cc2cncc(CCc3cocc3F)c2cc1N>>Cc1cocc1Nc1cc2cncc(CCc3cocc3F)c2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Amine_Primary_PheHet6
+snar_amine	3491	Cc1cocc1F.NCc1ccccc1CCCc1cocc1F>>Cc1cocc1NCc1ccccc1CCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.Benzylamine_primary
+snar_amine	3492	Cc1cocc1F.NCc1cnccc1CCCc1cocc1F>>Cc1cocc1NCc1cnccc1CCCc1cocc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5.HeteroBenzylamine_primary
 snar_amine	3493	Cc1c(F)oc2cocc12.NCCNCCCCc1c(F)oc2cocc12>>Cc1c(N(CCN)CCCCc2c(F)oc3cocc23)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 snar_amine	3494	Cc1c(F)oc2cocc12.CNC=CNCCCCc1c(F)oc2cocc12>>Cc1c(N(C)C=CNCCCCc2c(F)oc3cocc23)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 snar_amine	3495	Cc1c(F)oc2cocc12.CNC=CNC=CCCc1c(F)oc2cocc12>>CNC=CN(C=CCCc1c(F)oc2cocc12)c1oc2cocc2c1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -3505,7 +3505,7 @@ snar_amine	3503	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2c(
 snar_amine	3504	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(F)oc4cocc34)Cc3ccccc32)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3505	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(F)oc5cocc45)cc32)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3506	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(F)oc5cocc45)cc32)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3507	Cc1c(F)oc2cocc12.Nc1cccc(CCc2c(F)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)oc4cocc34)c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Phe
+snar_amine	3507	Cc1c(F)oc2cocc12.Nc1cccc(CCc2c(F)oc3cocc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)oc4cocc34)c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Phe
 snar_amine	3508	Cc1c(F)oc2cocc12.Nc1cc2ccc(CCc3c(F)oc4cocc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(F)oc5cocc45)cc3cc2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_PhePhe
 snar_amine	3509	Cc1c(F)oc2cocc12.CC(Cc1c(F)oc2cocc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(F)oc4cocc34)cc2)c2ccncc2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3510	Cc1c(F)oc2cocc12.Nc1cnccc1Nc1cncc(CCc2c(F)oc3cocc23)c1>>Cc1c(N(c2cncc(CCc3c(F)oc4cocc34)c2)c2ccncc2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3515,11 +3515,11 @@ snar_amine	3513	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N2c
 snar_amine	3514	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(F)oc4cocc34)Cc3ccncc32)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3515	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(F)oc5cocc45)cc32)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3516	Cc1c(F)oc2cocc12.Fc1oc2cocc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(F)oc5cocc45)cc32)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3517	Cc1c(F)oc2cocc12.Nc1occ(CCc2c(F)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(F)oc4cocc34)c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het5
+snar_amine	3517	Cc1c(F)oc2cocc12.Nc1occ(CCc2c(F)oc3cocc23)c1N>>Cc1c(Nc2occ(CCc3c(F)oc4cocc34)c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het5
 snar_amine	3518	Cc1c(F)oc2cocc12.Nc1oc2c(CCc3c(F)oc4cocc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(F)oc5cocc45)occ3c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het5Het5
 snar_amine	3519	Cc1c(F)oc2cocc12.Nc1oc2cc(CCc3c(F)oc4cocc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(F)oc5cocc45)ncc3c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het5Het6
 snar_amine	3520	Cc1c(F)oc2cocc12.Nc1oc2ccc(CCc3c(F)oc4cocc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(F)oc5cocc45)cc3c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het5Phe
-snar_amine	3521	Cc1c(F)oc2cocc12.Nc1nccc(CCc2c(F)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)oc4cocc34)c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het6
+snar_amine	3521	Cc1c(F)oc2cocc12.Nc1nccc(CCc2c(F)oc3cocc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)oc4cocc34)c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het6
 snar_amine	3522	Cc1c(F)oc2cocc12.Nc1c(Cc2c(F)oc3cocc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(F)oc4cocc34)nc3cocc3c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het6Het5
 snar_amine	3523	Cc1c(F)oc2cocc12.Nc1ncc2cc(CCc3c(F)oc4cocc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(F)oc5cocc45)ncc3c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het6Het6
 snar_amine	3524	Cc1c(F)oc2cocc12.Nc1ncc2ccc(CCc3c(F)oc4cocc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(F)oc5cocc45)cc3c2N)oc2cocc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het5.Amine_Primary_Het6Phe
@@ -3541,7 +3541,7 @@ snar_amine	3539	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2
 snar_amine	3540	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(F)oc4ccncc34)Cc3ccccc32)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3541	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(F)oc5ccncc45)cc32)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3542	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(F)oc5ccncc45)cc32)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3543	Cc1c(F)oc2ccncc12.Nc1cccc(CCc2c(F)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)oc4ccncc34)c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Phe
+snar_amine	3543	Cc1c(F)oc2ccncc12.Nc1cccc(CCc2c(F)oc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)oc4ccncc34)c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Phe
 snar_amine	3544	Cc1c(F)oc2ccncc12.Nc1cc2ccc(CCc3c(F)oc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(F)oc5ccncc45)cc3cc2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_PhePhe
 snar_amine	3545	Cc1c(F)oc2ccncc12.CC(Cc1c(F)oc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(F)oc4ccncc34)cc2)c2ccncc2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3546	Cc1c(F)oc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(F)oc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(F)oc4ccncc34)c2)c2ccncc2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3551,11 +3551,11 @@ snar_amine	3549	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N
 snar_amine	3550	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(F)oc4ccncc34)Cc3ccncc32)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3551	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(F)oc5ccncc45)cc32)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3552	Cc1c(F)oc2ccncc12.Fc1oc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(F)oc5ccncc45)cc32)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3553	Cc1c(F)oc2ccncc12.Nc1occ(CCc2c(F)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(F)oc4ccncc34)c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het5
+snar_amine	3553	Cc1c(F)oc2ccncc12.Nc1occ(CCc2c(F)oc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(F)oc4ccncc34)c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het5
 snar_amine	3554	Cc1c(F)oc2ccncc12.Nc1oc2c(CCc3c(F)oc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(F)oc5ccncc45)occ3c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het5Het5
 snar_amine	3555	Cc1c(F)oc2ccncc12.Nc1oc2cc(CCc3c(F)oc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(F)oc5ccncc45)ncc3c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het5Het6
 snar_amine	3556	Cc1c(F)oc2ccncc12.Nc1oc2ccc(CCc3c(F)oc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(F)oc5ccncc45)cc3c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het5Phe
-snar_amine	3557	Cc1c(F)oc2ccncc12.Nc1nccc(CCc2c(F)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)oc4ccncc34)c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het6
+snar_amine	3557	Cc1c(F)oc2ccncc12.Nc1nccc(CCc2c(F)oc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)oc4ccncc34)c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het6
 snar_amine	3558	Cc1c(F)oc2ccncc12.Nc1c(Cc2c(F)oc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(F)oc4ccncc34)nc3cocc3c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het6Het5
 snar_amine	3559	Cc1c(F)oc2ccncc12.Nc1ncc2cc(CCc3c(F)oc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(F)oc5ccncc45)ncc3c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het6Het6
 snar_amine	3560	Cc1c(F)oc2ccncc12.Nc1ncc2ccc(CCc3c(F)oc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(F)oc5ccncc45)cc3c2N)oc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Het6.Amine_Primary_Het6Phe
@@ -3577,7 +3577,7 @@ snar_amine	3575	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCCc2
 snar_amine	3576	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(F)oc4ccccc34)Cc3ccccc32)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3577	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(F)oc5ccccc45)cc32)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3578	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(F)oc5ccccc45)cc32)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3579	Cc1c(F)oc2ccccc12.Nc1cccc(CCc2c(F)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)oc4ccccc34)c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Phe
+snar_amine	3579	Cc1c(F)oc2ccccc12.Nc1cccc(CCc2c(F)oc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)oc4ccccc34)c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Phe
 snar_amine	3580	Cc1c(F)oc2ccccc12.Nc1cc2ccc(CCc3c(F)oc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(F)oc5ccccc45)cc3cc2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_PhePhe
 snar_amine	3581	Cc1c(F)oc2ccccc12.CC(Cc1c(F)oc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(F)oc4ccccc34)cc2)c2ccncc2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3582	Cc1c(F)oc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(F)oc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(F)oc4ccccc34)c2)c2ccncc2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3587,11 +3587,11 @@ snar_amine	3585	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c(N
 snar_amine	3586	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(F)oc4ccccc34)Cc3ccncc32)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3587	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(F)oc5ccccc45)cc32)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3588	Cc1c(F)oc2ccccc12.Fc1oc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(F)oc5ccccc45)cc32)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het5Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3589	Cc1c(F)oc2ccccc12.Nc1occ(CCc2c(F)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(F)oc4ccccc34)c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het5
+snar_amine	3589	Cc1c(F)oc2ccccc12.Nc1occ(CCc2c(F)oc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(F)oc4ccccc34)c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het5
 snar_amine	3590	Cc1c(F)oc2ccccc12.Nc1oc2c(CCc3c(F)oc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(F)oc5ccccc45)occ3c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het5Het5
 snar_amine	3591	Cc1c(F)oc2ccccc12.Nc1oc2cc(CCc3c(F)oc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(F)oc5ccccc45)ncc3c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het5Het6
 snar_amine	3592	Cc1c(F)oc2ccccc12.Nc1oc2ccc(CCc3c(F)oc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(F)oc5ccccc45)cc3c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het5Phe
-snar_amine	3593	Cc1c(F)oc2ccccc12.Nc1nccc(CCc2c(F)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)oc4ccccc34)c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het6
+snar_amine	3593	Cc1c(F)oc2ccccc12.Nc1nccc(CCc2c(F)oc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)oc4ccccc34)c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het6
 snar_amine	3594	Cc1c(F)oc2ccccc12.Nc1c(Cc2c(F)oc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(F)oc4ccccc34)nc3cocc3c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het6Het5
 snar_amine	3595	Cc1c(F)oc2ccccc12.Nc1ncc2cc(CCc3c(F)oc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(F)oc5ccccc45)ncc3c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het6Het6
 snar_amine	3596	Cc1c(F)oc2ccccc12.Nc1ncc2ccc(CCc3c(F)oc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(F)oc5ccccc45)cc3c2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_Het6Phe
@@ -3599,42 +3599,42 @@ snar_amine	3597	Cc1c(F)oc2ccccc12.Nc1c(Cc2c(F)oc3ccccc23)cc2cocc2c1N>>Cc1c(Nc2c(
 snar_amine	3598	Cc1c(F)oc2ccccc12.Nc1cc2cncc(CCc3c(F)oc4ccccc34)c2cc1N>>Cc1c(Nc2cc3cncc(CCc4c(F)oc5ccccc45)c3cc2N)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Amine_Primary_PheHet6
 snar_amine	3599	Cc1c(F)oc2ccccc12.NCc1ccccc1CCCc1c(F)oc2ccccc12>>Cc1c(NCc2ccccc2CCCc2c(F)oc3ccccc23)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.Benzylamine_primary
 snar_amine	3600	Cc1c(F)oc2ccccc12.NCc1cnccc1CCCc1c(F)oc2ccccc12>>Cc1c(NCc2cnccc2CCCc2c(F)oc3ccccc23)oc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het5Phe.HeteroBenzylamine_primary
-snar_amine	3601	Cc1cnccc1F.NCCNCCCCc1cnccc1F>>Cc1cnccc1N(CCN)CCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3602	Cc1cnccc1F.CNC=CNCCCCc1cnccc1F>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3603	Cc1cnccc1F.CNC=CNC=CCCc1cnccc1F>>CNC=CN(C=CCCc1cnccc1F)c1ccncc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3604	Cc1cnccc1F.Fc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
-snar_amine	3605	Cc1cnccc1F.Fc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3606	Cc1cnccc1F.Fc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2F)C=C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
-snar_amine	3607	Cc1cnccc1F.NCCNCCCc1cnccc1F>>Cc1cnccc1NCCNCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_SaturatedAliphatic
-snar_amine	3608	Cc1cnccc1F.NC=CNCCCc1cnccc1F>>Cc1cnccc1NC=CNCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_UnsaturatedAliphatic
-snar_amine	3609	Cc1cnccc1F.Nc1ccccc1Nc1ccc(CCc2cnccc2F)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2F)cc1)c1ccccc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
-snar_amine	3610	Cc1cnccc1F.Fc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3611	Cc1cnccc1F.Fc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3612	Cc1cnccc1F.Fc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
-snar_amine	3613	Cc1cnccc1F.Fc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
-snar_amine	3614	Cc1cnccc1F.Fc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3615	Cc1cnccc1F.Nc1cccc(CCc2cnccc2F)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Phe
-snar_amine	3616	Cc1cnccc1F.Nc1cc2ccc(CCc3cnccc3F)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_PhePhe
-snar_amine	3617	Cc1cnccc1F.CC(Cc1cnccc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3618	Cc1cnccc1F.Nc1cnccc1Nc1cncc(CCc2cnccc2F)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3619	Cc1cnccc1F.Fc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3620	Cc1cnccc1F.Fc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3621	Cc1cnccc1F.Fc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
-snar_amine	3622	Cc1cnccc1F.Fc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
-snar_amine	3623	Cc1cnccc1F.Fc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
-snar_amine	3624	Cc1cnccc1F.Fc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3625	Cc1cnccc1F.Nc1occ(CCc2cnccc2F)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5
-snar_amine	3626	Cc1cnccc1F.Nc1oc2c(CCc3cnccc3F)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5Het5
-snar_amine	3627	Cc1cnccc1F.Nc1oc2cc(CCc3cnccc3F)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5Het6
-snar_amine	3628	Cc1cnccc1F.Nc1oc2ccc(CCc3cnccc3F)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5Phe
-snar_amine	3629	Cc1cnccc1F.Nc1nccc(CCc2cnccc2F)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6
-snar_amine	3630	Cc1cnccc1F.Nc1c(Cc2cnccc2F)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6Het5
-snar_amine	3631	Cc1cnccc1F.Nc1ncc2cc(CCc3cnccc3F)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6Het6
-snar_amine	3632	Cc1cnccc1F.Nc1ncc2ccc(CCc3cnccc3F)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6Phe
-snar_amine	3633	Cc1cnccc1F.Nc1c(Cc2cnccc2F)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2F)cc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_PheHet5
-snar_amine	3634	Cc1cnccc1F.Nc1cc2cncc(CCc3cnccc3F)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3F)c2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_PheHet6
-snar_amine	3635	Cc1cnccc1F.NCc1ccccc1CCCc1cnccc1F>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Benzylamine_primary
-snar_amine	3636	Cc1cnccc1F.NCc1cnccc1CCCc1cnccc1F>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.HeteroBenzylamine_primary
+snar_amine	3601	Cc1cnccc1F.NCCNCCCCc1cnccc1F>>Cc1cnccc1N(CCN)CCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3602	Cc1cnccc1F.CNC=CNCCCCc1cnccc1F>>Cc1cnccc1N(C)C=CNCCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3603	Cc1cnccc1F.CNC=CNC=CCCc1cnccc1F>>CNC=CN(C=CCCc1cnccc1F)c1ccncc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3604	Cc1cnccc1F.Fc1ccncc1CCC1CCCNC1>>Cc1cnccc1N1CCCC(CCc2cnccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
+snar_amine	3605	Cc1cnccc1F.Fc1ccncc1CCC1CC=CNC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2F)C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);R;D2;$([N;X3;!+;!-;!$(N=*);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=N),$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3606	Cc1cnccc1F.Fc1ccncc1CCC1C=CNC=CC1>>Cc1cnccc1N1C=CCC(CCc2cnccc2F)C=C1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
+snar_amine	3607	Cc1cnccc1F.NCCNCCCc1cnccc1F>>Cc1cnccc1NCCNCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N[C;X4][c;$(a1aaaa1),$(a1aaaaa1)]);!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_SaturatedAliphatic
+snar_amine	3608	Cc1cnccc1F.NC=CNCCCc1cnccc1F>>Cc1cnccc1NC=CNCCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_UnsaturatedAliphatic
+snar_amine	3609	Cc1cnccc1F.Nc1ccccc1Nc1ccc(CCc2cnccc2F)cc1>>Cc1cnccc1N(c1ccc(CCc2cnccc2F)cc1)c1ccccc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_Aromatic-Aromatic
+snar_amine	3610	Cc1cnccc1F.Fc1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1N(CCNCCc1cnccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3611	Cc1cnccc1F.Fc1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1N(C=CNCCc1cnccc1F)c1ccccc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3612	Cc1cnccc1F.Fc1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1N1c2ccccc2CCC(Cc2cnccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_Aromatic-Aromatic
+snar_amine	3613	Cc1cnccc1F.Fc1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ccc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
+snar_amine	3614	Cc1cnccc1F.Fc1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ccc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
+snar_amine	3615	Cc1cnccc1F.Nc1cccc(CCc2cnccc2F)c1N>>Cc1cnccc1Nc1cccc(CCc2cnccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Phe
+snar_amine	3616	Cc1cnccc1F.Nc1cc2ccc(CCc3cnccc3F)cc2cc1N>>Cc1cnccc1Nc1cc2ccc(CCc3cnccc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_PhePhe
+snar_amine	3617	Cc1cnccc1F.CC(Cc1cnccc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1N(c1ccc(C(C)Cc2cnccc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3618	Cc1cnccc1F.Nc1cnccc1Nc1cncc(CCc2cnccc2F)c1>>Cc1cnccc1N(c1cncc(CCc2cnccc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3619	Cc1cnccc1F.Fc1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1N(CCNCCc1cnccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3620	Cc1cnccc1F.Fc1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1N(C=CNCCc1cnccc1F)c1ccncc1	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3621	Cc1cnccc1F.Fc1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cnccc1N1c2cnccc2CCC(Cc2cnccc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_Aromatic-Heteroaromatic
+snar_amine	3622	Cc1cnccc1F.Fc1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1N1c2ccncc2CCC(Cc2cnccc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
+snar_amine	3623	Cc1cnccc1F.Fc1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1N1CCCc2ncc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
+snar_amine	3624	Cc1cnccc1F.Fc1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1N1C=CCc2ncc(Cc3cnccc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
+snar_amine	3625	Cc1cnccc1F.Nc1occ(CCc2cnccc2F)c1N>>Cc1cnccc1Nc1occ(CCc2cnccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5
+snar_amine	3626	Cc1cnccc1F.Nc1oc2c(CCc3cnccc3F)occ2c1N>>Cc1cnccc1Nc1oc2c(CCc3cnccc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5Het5
+snar_amine	3627	Cc1cnccc1F.Nc1oc2cc(CCc3cnccc3F)ncc2c1N>>Cc1cnccc1Nc1oc2cc(CCc3cnccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5Het6
+snar_amine	3628	Cc1cnccc1F.Nc1oc2ccc(CCc3cnccc3F)cc2c1N>>Cc1cnccc1Nc1oc2ccc(CCc3cnccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het5Phe
+snar_amine	3629	Cc1cnccc1F.Nc1nccc(CCc2cnccc2F)c1N>>Cc1cnccc1Nc1nccc(CCc2cnccc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6
+snar_amine	3630	Cc1cnccc1F.Nc1c(Cc2cnccc2F)nc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6Het5
+snar_amine	3631	Cc1cnccc1F.Nc1ncc2cc(CCc3cnccc3F)ncc2c1N>>Cc1cnccc1Nc1ncc2cc(CCc3cnccc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6Het6
+snar_amine	3632	Cc1cnccc1F.Nc1ncc2ccc(CCc3cnccc3F)cc2c1N>>Cc1cnccc1Nc1ncc2ccc(CCc3cnccc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_Het6Phe
+snar_amine	3633	Cc1cnccc1F.Nc1c(Cc2cnccc2F)cc2cocc2c1N>>Cc1cnccc1Nc1c(Cc2cnccc2F)cc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_PheHet5
+snar_amine	3634	Cc1cnccc1F.Nc1cc2cncc(CCc3cnccc3F)c2cc1N>>Cc1cnccc1Nc1cc2cncc(CCc3cnccc3F)c2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Amine_Primary_PheHet6
+snar_amine	3635	Cc1cnccc1F.NCc1ccccc1CCCc1cnccc1F>>Cc1cnccc1NCc1ccccc1CCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.Benzylamine_primary
+snar_amine	3636	Cc1cnccc1F.NCc1cnccc1CCCc1cnccc1F>>Cc1cnccc1NCc1cnccc1CCCc1cnccc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);!$(FC(F)F):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6.HeteroBenzylamine_primary
 snar_amine	3637	Cc1nc2cocc2cc1F.NCCNCCCCc1nc2cocc2cc1F>>Cc1nc2cocc2cc1N(CCN)CCCCc1nc2cocc2cc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 snar_amine	3638	Cc1nc2cocc2cc1F.CNC=CNCCCCc1nc2cocc2cc1F>>Cc1nc2cocc2cc1N(C)C=CNCCCCc1nc2cocc2cc1F	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 snar_amine	3639	Cc1nc2cocc2cc1F.CNC=CNC=CCCc1nc2cocc2cc1F>>CNC=CN(C=CCCc1nc2cocc2cc1F)c1cc2cocc2nc1C	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -3649,7 +3649,7 @@ snar_amine	3647	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1CCNC=CNc1ccccc1>>Cc1nc2cocc2cc1N(C
 snar_amine	3648	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1nc2cocc2cc1N1c2ccccc2CCC(Cc2nc3cocc3cc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3649	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1Cc1ccc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ccc(Cc3nc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3650	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1Cc1ccc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ccc(Cc3nc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3651	Cc1nc2cocc2cc1F.Nc1cccc(CCc2nc3cocc3cc2F)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Phe
+snar_amine	3651	Cc1nc2cocc2cc1F.Nc1cccc(CCc2nc3cocc3cc2F)c1N>>Cc1nc2cocc2cc1Nc1cccc(CCc2nc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Phe
 snar_amine	3652	Cc1nc2cocc2cc1F.Nc1cc2ccc(CCc3nc4cocc4cc3F)cc2cc1N>>Cc1nc2cocc2cc1Nc1cc2ccc(CCc3nc4cocc4cc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_PhePhe
 snar_amine	3653	Cc1nc2cocc2cc1F.CC(Cc1nc2cocc2cc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1nc2cocc2cc1N(c1ccc(C(C)Cc2nc3cocc3cc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3654	Cc1nc2cocc2cc1F.Nc1cnccc1Nc1cncc(CCc2nc3cocc3cc2F)c1>>Cc1nc2cocc2cc1N(c1cncc(CCc2nc3cocc3cc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3659,11 +3659,11 @@ snar_amine	3657	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1nc2co
 snar_amine	3658	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1nc2cocc2cc1N1c2ccncc2CCC(Cc2nc3cocc3cc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3659	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1Cc1cnc2c(c1)NCCC2>>Cc1nc2cocc2cc1N1CCCc2ncc(Cc3nc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3660	Cc1nc2cocc2cc1F.Fc1cc2cocc2nc1Cc1cnc2c(c1)NC=CC2>>Cc1nc2cocc2cc1N1C=CCc2ncc(Cc3nc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3661	Cc1nc2cocc2cc1F.Nc1occ(CCc2nc3cocc3cc2F)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het5
+snar_amine	3661	Cc1nc2cocc2cc1F.Nc1occ(CCc2nc3cocc3cc2F)c1N>>Cc1nc2cocc2cc1Nc1occ(CCc2nc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het5
 snar_amine	3662	Cc1nc2cocc2cc1F.Nc1oc2c(CCc3nc4cocc4cc3F)occ2c1N>>Cc1nc2cocc2cc1Nc1oc2c(CCc3nc4cocc4cc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het5Het5
 snar_amine	3663	Cc1nc2cocc2cc1F.Nc1oc2cc(CCc3nc4cocc4cc3F)ncc2c1N>>Cc1nc2cocc2cc1Nc1oc2cc(CCc3nc4cocc4cc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het5Het6
 snar_amine	3664	Cc1nc2cocc2cc1F.Nc1oc2ccc(CCc3nc4cocc4cc3F)cc2c1N>>Cc1nc2cocc2cc1Nc1oc2ccc(CCc3nc4cocc4cc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het5Phe
-snar_amine	3665	Cc1nc2cocc2cc1F.Nc1nccc(CCc2nc3cocc3cc2F)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het6
+snar_amine	3665	Cc1nc2cocc2cc1F.Nc1nccc(CCc2nc3cocc3cc2F)c1N>>Cc1nc2cocc2cc1Nc1nccc(CCc2nc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het6
 snar_amine	3666	Cc1nc2cocc2cc1F.Nc1c(Cc2nc3cocc3cc2F)nc2cocc2c1N>>Cc1nc2cocc2cc1Nc1c(Cc2nc3cocc3cc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het6Het5
 snar_amine	3667	Cc1nc2cocc2cc1F.Nc1ncc2cc(CCc3nc4cocc4cc3F)ncc2c1N>>Cc1nc2cocc2cc1Nc1ncc2cc(CCc3nc4cocc4cc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het6Het6
 snar_amine	3668	Cc1nc2cocc2cc1F.Nc1ncc2ccc(CCc3nc4cocc4cc3F)cc2c1N>>Cc1nc2cocc2cc1Nc1ncc2ccc(CCc3nc4cocc4cc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het5.Amine_Primary_Het6Phe
@@ -3685,7 +3685,7 @@ snar_amine	3683	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCC
 snar_amine	3684	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(F)ncc4ccncc34)Cc3ccccc32)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3685	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(F)ncc5ccncc45)cc32)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3686	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(F)ncc5ccncc45)cc32)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3687	Cc1c(F)ncc2ccncc12.Nc1cccc(CCc2c(F)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)ncc4ccncc34)c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Phe
+snar_amine	3687	Cc1c(F)ncc2ccncc12.Nc1cccc(CCc2c(F)ncc3ccncc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)ncc4ccncc34)c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Phe
 snar_amine	3688	Cc1c(F)ncc2ccncc12.Nc1cc2ccc(CCc3c(F)ncc4ccncc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(F)ncc5ccncc45)cc3cc2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_PhePhe
 snar_amine	3689	Cc1c(F)ncc2ccncc12.CC(Cc1c(F)ncc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(F)ncc4ccncc34)cc2)c2ccncc2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3690	Cc1c(F)ncc2ccncc12.Nc1cnccc1Nc1cncc(CCc2c(F)ncc3ccncc23)c1>>Cc1c(N(c2cncc(CCc3c(F)ncc4ccncc34)c2)c2ccncc2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3695,11 +3695,11 @@ snar_amine	3693	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 snar_amine	3694	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(F)ncc4ccncc34)Cc3ccncc32)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3695	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(F)ncc5ccncc45)cc32)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3696	Cc1c(F)ncc2ccncc12.Fc1ncc2ccncc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(F)ncc5ccncc45)cc32)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Het6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3697	Cc1c(F)ncc2ccncc12.Nc1occ(CCc2c(F)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(F)ncc4ccncc34)c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het5
+snar_amine	3697	Cc1c(F)ncc2ccncc12.Nc1occ(CCc2c(F)ncc3ccncc23)c1N>>Cc1c(Nc2occ(CCc3c(F)ncc4ccncc34)c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het5
 snar_amine	3698	Cc1c(F)ncc2ccncc12.Nc1oc2c(CCc3c(F)ncc4ccncc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(F)ncc5ccncc45)occ3c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het5Het5
 snar_amine	3699	Cc1c(F)ncc2ccncc12.Nc1oc2cc(CCc3c(F)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(F)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het5Het6
 snar_amine	3700	Cc1c(F)ncc2ccncc12.Nc1oc2ccc(CCc3c(F)ncc4ccncc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(F)ncc5ccncc45)cc3c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het5Phe
-snar_amine	3701	Cc1c(F)ncc2ccncc12.Nc1nccc(CCc2c(F)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)ncc4ccncc34)c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het6
+snar_amine	3701	Cc1c(F)ncc2ccncc12.Nc1nccc(CCc2c(F)ncc3ccncc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)ncc4ccncc34)c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het6
 snar_amine	3702	Cc1c(F)ncc2ccncc12.Nc1c(Cc2c(F)ncc3ccncc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(F)ncc4ccncc34)nc3cocc3c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het6Het5
 snar_amine	3703	Cc1c(F)ncc2ccncc12.Nc1ncc2cc(CCc3c(F)ncc4ccncc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(F)ncc5ccncc45)ncc3c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het6Het6
 snar_amine	3704	Cc1c(F)ncc2ccncc12.Nc1ncc2ccc(CCc3c(F)ncc4ccncc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(F)ncc5ccncc45)cc3c2N)ncc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Het6.Amine_Primary_Het6Phe
@@ -3721,7 +3721,7 @@ snar_amine	3719	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1CCNC=CNc1ccccc1>>Cc1c(N(C=CNCC
 snar_amine	3720	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1c(N2c3ccccc3CCC(Cc3c(F)ncc4ccccc34)Cc3ccccc32)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3721	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1Cc1ccc2c(c1)NCCC2>>Cc1c(N2CCCc3ccc(Cc4c(F)ncc5ccccc45)cc32)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3722	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1Cc1ccc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ccc(Cc4c(F)ncc5ccccc45)cc32)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3723	Cc1c(F)ncc2ccccc12.Nc1cccc(CCc2c(F)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)ncc4ccccc34)c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Phe
+snar_amine	3723	Cc1c(F)ncc2ccccc12.Nc1cccc(CCc2c(F)ncc3ccccc23)c1N>>Cc1c(Nc2cccc(CCc3c(F)ncc4ccccc34)c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Phe
 snar_amine	3724	Cc1c(F)ncc2ccccc12.Nc1cc2ccc(CCc3c(F)ncc4ccccc34)cc2cc1N>>Cc1c(Nc2cc3ccc(CCc4c(F)ncc5ccccc45)cc3cc2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_PhePhe
 snar_amine	3725	Cc1c(F)ncc2ccccc12.CC(Cc1c(F)ncc2ccccc12)c1ccc(Nc2ccncc2N)cc1>>Cc1c(N(c2ccc(C(C)Cc3c(F)ncc4ccccc34)cc2)c2ccncc2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3726	Cc1c(F)ncc2ccccc12.Nc1cnccc1Nc1cncc(CCc2c(F)ncc3ccccc23)c1>>Cc1c(N(c2cncc(CCc3c(F)ncc4ccccc34)c2)c2ccncc2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3731,11 +3731,11 @@ snar_amine	3729	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 snar_amine	3730	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1c(N2c3ccncc3CCC(Cc3c(F)ncc4ccccc34)Cc3ccncc32)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3731	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1Cc1cnc2c(c1)NCCC2>>Cc1c(N2CCCc3ncc(Cc4c(F)ncc5ccccc45)cc32)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3732	Cc1c(F)ncc2ccccc12.Fc1ncc2ccccc2c1Cc1cnc2c(c1)NC=CC2>>Cc1c(N2C=CCc3ncc(Cc4c(F)ncc5ccccc45)cc32)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_Het6Phe.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3733	Cc1c(F)ncc2ccccc12.Nc1occ(CCc2c(F)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(F)ncc4ccccc34)c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het5
+snar_amine	3733	Cc1c(F)ncc2ccccc12.Nc1occ(CCc2c(F)ncc3ccccc23)c1N>>Cc1c(Nc2occ(CCc3c(F)ncc4ccccc34)c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het5
 snar_amine	3734	Cc1c(F)ncc2ccccc12.Nc1oc2c(CCc3c(F)ncc4ccccc34)occ2c1N>>Cc1c(Nc2oc3c(CCc4c(F)ncc5ccccc45)occ3c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het5Het5
 snar_amine	3735	Cc1c(F)ncc2ccccc12.Nc1oc2cc(CCc3c(F)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2oc3cc(CCc4c(F)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het5Het6
 snar_amine	3736	Cc1c(F)ncc2ccccc12.Nc1oc2ccc(CCc3c(F)ncc4ccccc34)cc2c1N>>Cc1c(Nc2oc3ccc(CCc4c(F)ncc5ccccc45)cc3c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het5Phe
-snar_amine	3737	Cc1c(F)ncc2ccccc12.Nc1nccc(CCc2c(F)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)ncc4ccccc34)c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het6
+snar_amine	3737	Cc1c(F)ncc2ccccc12.Nc1nccc(CCc2c(F)ncc3ccccc23)c1N>>Cc1c(Nc2nccc(CCc3c(F)ncc4ccccc34)c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het6
 snar_amine	3738	Cc1c(F)ncc2ccccc12.Nc1c(Cc2c(F)ncc3ccccc23)nc2cocc2c1N>>Cc1c(Nc2c(Cc3c(F)ncc4ccccc34)nc3cocc3c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het6Het5
 snar_amine	3739	Cc1c(F)ncc2ccccc12.Nc1ncc2cc(CCc3c(F)ncc4ccccc34)ncc2c1N>>Cc1c(Nc2ncc3cc(CCc4c(F)ncc5ccccc45)ncc3c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het6Het6
 snar_amine	3740	Cc1c(F)ncc2ccccc12.Nc1ncc2ccc(CCc3c(F)ncc4ccccc34)cc2c1N>>Cc1c(Nc2ncc3ccc(CCc4c(F)ncc5ccccc45)cc3c2N)ncc2ccccc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_Het6Phe.Amine_Primary_Het6Phe
@@ -3757,7 +3757,7 @@ snar_amine	3755	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1CCNC=CNc1ccccc1>>Cc1cc2cocc2cc1N(C
 snar_amine	3756	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cc2cocc2cc1N1c2ccccc2CCC(Cc2cc3cocc3cc2F)Cc2ccccc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3757	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1Cc1ccc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ccc(Cc3cc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3758	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1Cc1ccc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ccc(Cc3cc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3759	Cc1cc2cocc2cc1F.Nc1cccc(CCc2cc3cocc3cc2F)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Phe
+snar_amine	3759	Cc1cc2cocc2cc1F.Nc1cccc(CCc2cc3cocc3cc2F)c1N>>Cc1cc2cocc2cc1Nc1cccc(CCc2cc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Phe
 snar_amine	3760	Cc1cc2cocc2cc1F.Nc1cc2ccc(CCc3cc4cocc4cc3F)cc2cc1N>>Cc1cc2cocc2cc1Nc1cc2ccc(CCc3cc4cocc4cc3F)cc2cc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_PhePhe
 snar_amine	3761	Cc1cc2cocc2cc1F.CC(Cc1cc2cocc2cc1F)c1ccc(Nc2ccncc2N)cc1>>Cc1cc2cocc2cc1N(c1ccc(C(C)Cc2cc3cocc3cc2F)cc1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3762	Cc1cc2cocc2cc1F.Nc1cnccc1Nc1cncc(CCc2cc3cocc3cc2F)c1>>Cc1cc2cocc2cc1N(c1cncc(CCc2cc3cocc3cc2F)c1)c1ccncc1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3767,11 +3767,11 @@ snar_amine	3765	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1cc2co
 snar_amine	3766	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cc2cocc2cc1N1c2ccncc2CCC(Cc2cc3cocc3cc2F)Cc2ccncc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3767	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1Cc1cnc2c(c1)NCCC2>>Cc1cc2cocc2cc1N1CCCc2ncc(Cc3cc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3768	Cc1cc2cocc2cc1F.Fc1cc2cocc2cc1Cc1cnc2c(c1)NC=CC2>>Cc1cc2cocc2cc1N1C=CCc2ncc(Cc3cc4cocc4cc3F)cc21	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet5.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3769	Cc1cc2cocc2cc1F.Nc1occ(CCc2cc3cocc3cc2F)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het5
+snar_amine	3769	Cc1cc2cocc2cc1F.Nc1occ(CCc2cc3cocc3cc2F)c1N>>Cc1cc2cocc2cc1Nc1occ(CCc2cc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het5
 snar_amine	3770	Cc1cc2cocc2cc1F.Nc1oc2c(CCc3cc4cocc4cc3F)occ2c1N>>Cc1cc2cocc2cc1Nc1oc2c(CCc3cc4cocc4cc3F)occ2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het5Het5
 snar_amine	3771	Cc1cc2cocc2cc1F.Nc1oc2cc(CCc3cc4cocc4cc3F)ncc2c1N>>Cc1cc2cocc2cc1Nc1oc2cc(CCc3cc4cocc4cc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het5Het6
 snar_amine	3772	Cc1cc2cocc2cc1F.Nc1oc2ccc(CCc3cc4cocc4cc3F)cc2c1N>>Cc1cc2cocc2cc1Nc1oc2ccc(CCc3cc4cocc4cc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het5Phe
-snar_amine	3773	Cc1cc2cocc2cc1F.Nc1nccc(CCc2cc3cocc3cc2F)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het6
+snar_amine	3773	Cc1cc2cocc2cc1F.Nc1nccc(CCc2cc3cocc3cc2F)c1N>>Cc1cc2cocc2cc1Nc1nccc(CCc2cc3cocc3cc2F)c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het6
 snar_amine	3774	Cc1cc2cocc2cc1F.Nc1c(Cc2cc3cocc3cc2F)nc2cocc2c1N>>Cc1cc2cocc2cc1Nc1c(Cc2cc3cocc3cc2F)nc2cocc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het6Het5
 snar_amine	3775	Cc1cc2cocc2cc1F.Nc1ncc2cc(CCc3cc4cocc4cc3F)ncc2c1N>>Cc1cc2cocc2cc1Nc1ncc2cc(CCc3cc4cocc4cc3F)ncc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het6Het6
 snar_amine	3776	Cc1cc2cocc2cc1F.Nc1ncc2ccc(CCc3cc4cocc4cc3F)cc2c1N>>Cc1cc2cocc2cc1Nc1ncc2ccc(CCc3cc4cocc4cc3F)cc2c1N	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet5.Amine_Primary_Het6Phe
@@ -3793,7 +3793,7 @@ snar_amine	3791	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCCNC=CNc1ccccc1>>CCc1c(N(C=C
 snar_amine	3792	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1c(N2c3ccccc3CCC(CCc3c(F)ccc4ccncc34)Cc3ccccc32)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_CyclicSecondary_Aromatic-Aromatic
 snar_amine	3793	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCc1ccc2c(c1)NCCC2>>CCc1c(N2CCCc3ccc(CCc4c(F)ccc5ccncc45)cc32)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 snar_amine	3794	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCc1ccc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ccc(CCc4c(F)ccc5ccncc45)cc32)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-snar_amine	3795	CCc1c(F)ccc2ccncc12.Nc1cccc(CCCc2c(F)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(F)ccc4ccncc34)c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Phe
+snar_amine	3795	CCc1c(F)ccc2ccncc12.Nc1cccc(CCCc2c(F)ccc3ccncc23)c1N>>CCc1c(Nc2cccc(CCCc3c(F)ccc4ccncc34)c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Phe
 snar_amine	3796	CCc1c(F)ccc2ccncc12.Nc1cc2ccc(CCCc3c(F)ccc4ccncc34)cc2cc1N>>CCc1c(Nc2cc3ccc(CCCc4c(F)ccc5ccncc45)cc3cc2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_PhePhe
 snar_amine	3797	CCc1c(F)ccc2ccncc12.CC(CCc1c(F)ccc2ccncc12)c1ccc(Nc2ccncc2N)cc1>>CCc1c(N(c2ccc(C(C)CCc3c(F)ccc4ccncc34)cc2)c2ccncc2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 snar_amine	3798	CCc1c(F)ccc2ccncc12.Nc1cnccc1Nc1cncc(CCCc2c(F)ccc3ccncc23)c1>>CCc1c(N(c2cncc(CCCc3c(F)ccc4ccncc34)c2)c2ccncc2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3803,11 +3803,11 @@ snar_amine	3801	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCC1CCc2ccncc2Nc2ccccc2C1>>CC
 snar_amine	3802	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1c(N2c3ccncc3CCC(CCc3c(F)ccc4ccncc34)Cc3ccncc32)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 snar_amine	3803	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCc1cnc2c(c1)NCCC2>>CCc1c(N2CCCc3ncc(CCc4c(F)ccc5ccncc45)cc32)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 snar_amine	3804	CCc1c(F)ccc2ccncc12.Fc1ccc2ccncc2c1CCc1cnc2c(c1)NC=CC2>>CCc1c(N2C=CCc3ncc(CCc4c(F)ccc5ccncc45)cc32)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[a:2][N:3]([#6:4])[#6:5]	X-Fluoride_PheHet6.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-snar_amine	3805	CCc1c(F)ccc2ccncc12.Nc1occ(CCCc2c(F)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(F)ccc4ccncc34)c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het5
+snar_amine	3805	CCc1c(F)ccc2ccncc12.Nc1occ(CCCc2c(F)ccc3ccncc23)c1N>>CCc1c(Nc2occ(CCCc3c(F)ccc4ccncc34)c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het5
 snar_amine	3806	CCc1c(F)ccc2ccncc12.Nc1oc2c(CCCc3c(F)ccc4ccncc34)occ2c1N>>CCc1c(Nc2oc3c(CCCc4c(F)ccc5ccncc45)occ3c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het5Het5
 snar_amine	3807	CCc1c(F)ccc2ccncc12.Nc1oc2cc(CCCc3c(F)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2oc3cc(CCCc4c(F)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het5Het6
 snar_amine	3808	CCc1c(F)ccc2ccncc12.Nc1oc2ccc(CCCc3c(F)ccc4ccncc34)cc2c1N>>CCc1c(Nc2oc3ccc(CCCc4c(F)ccc5ccncc45)cc3c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het5Phe
-snar_amine	3809	CCc1c(F)ccc2ccncc12.Nc1nccc(CCCc2c(F)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(F)ccc4ccncc34)c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het6
+snar_amine	3809	CCc1c(F)ccc2ccncc12.Nc1nccc(CCCc2c(F)ccc3ccncc23)c1N>>CCc1c(Nc2nccc(CCCc3c(F)ccc4ccncc34)c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het6
 snar_amine	3810	CCc1c(F)ccc2ccncc12.Nc1c(CCc2c(F)ccc3ccncc23)nc2cocc2c1N>>CCc1c(Nc2c(CCc3c(F)ccc4ccncc34)nc3cocc3c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het6Het5
 snar_amine	3811	CCc1c(F)ccc2ccncc12.Nc1ncc2cc(CCCc3c(F)ccc4ccncc34)ncc2c1N>>CCc1c(Nc2ncc3cc(CCCc4c(F)ccc5ccncc45)ncc3c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het6Het6
 snar_amine	3812	CCc1c(F)ccc2ccncc12.Nc1ncc2ccc(CCCc3c(F)ccc4ccncc34)cc2c1N>>CCc1c(Nc2ncc3ccc(CCCc4c(F)ccc5ccncc45)cc3c2N)ccc2ccncc12	[F;$([F][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]);!$(FC(F)F):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[a:2][N:3][#6:4]	X-Fluoride_PheHet6.Amine_Primary_Het6Phe
@@ -3845,7 +3845,7 @@ reductive_amination_ketone	3843	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(CC
 reductive_amination_ketone	3844	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(CC3CCc4ccccc4Nc4ccccc4C3)c21>>Cc1cccc2c1C(N1c3ccccc3CCC(Cc3cccc4c3C(=O)c3ccccc34)Cc3ccccc31)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	3845	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(Cc3ccc4c(c3)NCCC4)c21>>Cc1cccc2c1C(N1CCCc3ccc(Cc4cccc5c4C(=O)c4ccccc45)cc31)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	3846	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(Cc3ccc4c(c3)NC=CC4)c21>>Cc1cccc2c1C(N1C=CCc3ccc(Cc4cccc5c4C(=O)c4ccccc45)cc31)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	3847	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1cccc(CCc2cccc3c2C(=O)c2ccccc2-3)c1N>>Cc1cccc2c1C(Nc1cccc(CCc3cccc4c3C(=O)c3ccccc34)c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Phe
+reductive_amination_ketone	3847	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1cccc(CCc2cccc3c2C(=O)c2ccccc2-3)c1N>>Cc1cccc2c1C(Nc1cccc(CCc3cccc4c3C(=O)c3ccccc34)c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Phe
 reductive_amination_ketone	3848	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1cc2ccc(CCc3cccc4c3C(=O)c3ccccc3-4)cc2cc1N>>Cc1cccc2c1C(Nc1cc3ccc(CCc4cccc5c4C(=O)c4ccccc45)cc3cc1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_PhePhe
 reductive_amination_ketone	3849	Cc1cccc2c1C(=O)c1ccccc1-2.CC(Cc1cccc2c1C(=O)c1ccccc1-2)c1ccc(Nc2ccncc2N)cc1>>Cc1cccc2c1C(N(c1ccc(C(C)Cc3cccc4c3C(=O)c3ccccc34)cc1)c1ccncc1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	3850	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1cnccc1Nc1cncc(CCc2cccc3c2C(=O)c2ccccc2-3)c1>>Cc1cccc2c1C(N(c1cncc(CCc3cccc4c3C(=O)c3ccccc34)c1)c1ccncc1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3855,11 +3855,11 @@ reductive_amination_ketone	3853	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(CC
 reductive_amination_ketone	3854	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(CC3CCc4cnccc4Nc4cnccc4C3)c21>>Cc1cccc2c1C(N1c3ccncc3CCC(Cc3cccc4c3C(=O)c3ccccc34)Cc3ccncc31)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	3855	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(Cc3cnc4c(c3)NCCC4)c21>>Cc1cccc2c1C(N1CCCc3ncc(Cc4cccc5c4C(=O)c4ccccc45)cc31)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	3856	Cc1cccc2c1C(=O)c1ccccc1-2.O=C1c2ccccc2-c2cccc(Cc3cnc4c(c3)NC=CC4)c21>>Cc1cccc2c1C(N1C=CCc3ncc(Cc4cccc5c4C(=O)c4ccccc45)cc31)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticCyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	3857	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1occ(CCc2cccc3c2C(=O)c2ccccc2-3)c1N>>Cc1cccc2c1C(Nc1occ(CCc3cccc4c3C(=O)c3ccccc34)c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het5
+reductive_amination_ketone	3857	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1occ(CCc2cccc3c2C(=O)c2ccccc2-3)c1N>>Cc1cccc2c1C(Nc1occ(CCc3cccc4c3C(=O)c3ccccc34)c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het5
 reductive_amination_ketone	3858	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1oc2c(CCc3cccc4c3C(=O)c3ccccc3-4)occ2c1N>>Cc1cccc2c1C(Nc1oc3c(CCc4cccc5c4C(=O)c4ccccc45)occ3c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het5Het5
 reductive_amination_ketone	3859	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1oc2cc(CCc3cccc4c3C(=O)c3ccccc3-4)ncc2c1N>>Cc1cccc2c1C(Nc1oc3cc(CCc4cccc5c4C(=O)c4ccccc45)ncc3c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het5Het6
 reductive_amination_ketone	3860	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1oc2ccc(CCc3cccc4c3C(=O)c3ccccc3-4)cc2c1N>>Cc1cccc2c1C(Nc1oc3ccc(CCc4cccc5c4C(=O)c4ccccc45)cc3c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het5Phe
-reductive_amination_ketone	3861	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1nccc(CCc2cccc3c2C(=O)c2ccccc2-3)c1N>>Cc1cccc2c1C(Nc1nccc(CCc3cccc4c3C(=O)c3ccccc34)c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het6
+reductive_amination_ketone	3861	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1nccc(CCc2cccc3c2C(=O)c2ccccc2-3)c1N>>Cc1cccc2c1C(Nc1nccc(CCc3cccc4c3C(=O)c3ccccc34)c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het6
 reductive_amination_ketone	3862	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1c(Cc2cccc3c2C(=O)c2ccccc2-3)nc2cocc2c1N>>Cc1cccc2c1C(Nc1c(Cc3cccc4c3C(=O)c3ccccc34)nc3cocc3c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het6Het5
 reductive_amination_ketone	3863	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1ncc2cc(CCc3cccc4c3C(=O)c3ccccc3-4)ncc2c1N>>Cc1cccc2c1C(Nc1ncc3cc(CCc4cccc5c4C(=O)c4ccccc45)ncc3c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het6Het6
 reductive_amination_ketone	3864	Cc1cccc2c1C(=O)c1ccccc1-2.Nc1ncc2ccc(CCc3cccc4c3C(=O)c3ccccc3-4)cc2c1N>>Cc1cccc2c1C(Nc1ncc3ccc(CCc4cccc5c4C(=O)c4ccccc45)cc3c1N)c1ccccc12	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([*:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticCyclic.Amine_Primary_Het6Phe
@@ -3881,7 +3881,7 @@ reductive_amination_ketone	3879	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1CCNC
 reductive_amination_ketone	3880	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(c1ccccc1)N1c2ccccc2CCC(Cc2ccccc2C(=O)c2ccccc2)Cc2ccccc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	3881	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(c1ccccc1)N1CCCc2ccc(Cc3ccccc3C(=O)c3ccccc3)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	3882	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(c1ccccc1)N1C=CCc2ccc(Cc3ccccc3C(=O)c3ccccc3)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	3883	Cc1ccccc1C(=O)c1ccccc1.Nc1cccc(CCc2ccccc2C(=O)c2ccccc2)c1N>>Cc1ccccc1C(Nc1cccc(CCc2ccccc2C(=O)c2ccccc2)c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Phe
+reductive_amination_ketone	3883	Cc1ccccc1C(=O)c1ccccc1.Nc1cccc(CCc2ccccc2C(=O)c2ccccc2)c1N>>Cc1ccccc1C(Nc1cccc(CCc2ccccc2C(=O)c2ccccc2)c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Phe
 reductive_amination_ketone	3884	Cc1ccccc1C(=O)c1ccccc1.Nc1cc2ccc(CCc3ccccc3C(=O)c3ccccc3)cc2cc1N>>Cc1ccccc1C(Nc1cc2ccc(CCc3ccccc3C(=O)c3ccccc3)cc2cc1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_PhePhe
 reductive_amination_ketone	3885	Cc1ccccc1C(=O)c1ccccc1.CC(Cc1ccccc1C(=O)c1ccccc1)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(c1ccccc1)N(c1ccc(C(C)Cc2ccccc2C(=O)c2ccccc2)cc1)c1ccncc1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	3886	Cc1ccccc1C(=O)c1ccccc1.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)c2ccccc2)c1>>Cc1ccccc1C(c1ccccc1)N(c1cncc(CCc2ccccc2C(=O)c2ccccc2)c1)c1ccncc1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3891,11 +3891,11 @@ reductive_amination_ketone	3889	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1CC1C
 reductive_amination_ketone	3890	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(c1ccccc1)N1c2ccncc2CCC(Cc2ccccc2C(=O)c2ccccc2)Cc2ccncc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	3891	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(c1ccccc1)N1CCCc2ncc(Cc3ccccc3C(=O)c3ccccc3)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	3892	Cc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(c1ccccc1)N1C=CCc2ncc(Cc3ccccc3C(=O)c3ccccc3)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAromaticAcyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	3893	Cc1ccccc1C(=O)c1ccccc1.Nc1occ(CCc2ccccc2C(=O)c2ccccc2)c1N>>Cc1ccccc1C(Nc1occ(CCc2ccccc2C(=O)c2ccccc2)c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het5
+reductive_amination_ketone	3893	Cc1ccccc1C(=O)c1ccccc1.Nc1occ(CCc2ccccc2C(=O)c2ccccc2)c1N>>Cc1ccccc1C(Nc1occ(CCc2ccccc2C(=O)c2ccccc2)c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het5
 reductive_amination_ketone	3894	Cc1ccccc1C(=O)c1ccccc1.Nc1oc2c(CCc3ccccc3C(=O)c3ccccc3)occ2c1N>>Cc1ccccc1C(Nc1oc2c(CCc3ccccc3C(=O)c3ccccc3)occ2c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het5Het5
 reductive_amination_ketone	3895	Cc1ccccc1C(=O)c1ccccc1.Nc1oc2cc(CCc3ccccc3C(=O)c3ccccc3)ncc2c1N>>Cc1ccccc1C(Nc1oc2cc(CCc3ccccc3C(=O)c3ccccc3)ncc2c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het5Het6
 reductive_amination_ketone	3896	Cc1ccccc1C(=O)c1ccccc1.Nc1oc2ccc(CCc3ccccc3C(=O)c3ccccc3)cc2c1N>>Cc1ccccc1C(Nc1oc2ccc(CCc3ccccc3C(=O)c3ccccc3)cc2c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het5Phe
-reductive_amination_ketone	3897	Cc1ccccc1C(=O)c1ccccc1.Nc1nccc(CCc2ccccc2C(=O)c2ccccc2)c1N>>Cc1ccccc1C(Nc1nccc(CCc2ccccc2C(=O)c2ccccc2)c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het6
+reductive_amination_ketone	3897	Cc1ccccc1C(=O)c1ccccc1.Nc1nccc(CCc2ccccc2C(=O)c2ccccc2)c1N>>Cc1ccccc1C(Nc1nccc(CCc2ccccc2C(=O)c2ccccc2)c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het6
 reductive_amination_ketone	3898	Cc1ccccc1C(=O)c1ccccc1.Nc1c(Cc2ccccc2C(=O)c2ccccc2)nc2cocc2c1N>>Cc1ccccc1C(Nc1c(Cc2ccccc2C(=O)c2ccccc2)nc2cocc2c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het6Het5
 reductive_amination_ketone	3899	Cc1ccccc1C(=O)c1ccccc1.Nc1ncc2cc(CCc3ccccc3C(=O)c3ccccc3)ncc2c1N>>Cc1ccccc1C(Nc1ncc2cc(CCc3ccccc3C(=O)c3ccccc3)ncc2c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het6Het6
 reductive_amination_ketone	3900	Cc1ccccc1C(=O)c1ccccc1.Nc1ncc2ccc(CCc3ccccc3C(=O)c3ccccc3)cc2c1N>>Cc1ccccc1C(Nc1ncc2ccc(CCc3ccccc3C(=O)c3ccccc3)cc2c1N)c1ccccc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;a])]):1]([a:2])[*:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAromaticAcyclic.Amine_Primary_Het6Phe
@@ -3917,7 +3917,7 @@ reductive_amination_ketone	3915	CC1CCCC(=O)CCC1.O=C1CCCC(CCNC=CNc2ccccc2)CCC1>>C
 reductive_amination_ketone	3916	CC1CCCC(=O)CCC1.O=C1CCCC(CC2CCc3ccccc3Nc3ccccc3C2)CCC1>>CC1CCCC(N2c3ccccc3CCC(CC3CCCC(=O)CCC3)Cc3ccccc32)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	3917	CC1CCCC(=O)CCC1.O=C1CCCC(Cc2ccc3c(c2)NCCC3)CCC1>>CC1CCCC(N2CCCc3ccc(CC4CCCC(=O)CCC4)cc32)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	3918	CC1CCCC(=O)CCC1.O=C1CCCC(Cc2ccc3c(c2)NC=CC3)CCC1>>CC1CCCC(N2C=CCc3ccc(CC4CCCC(=O)CCC4)cc32)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	3919	CC1CCCC(=O)CCC1.Nc1cccc(CCC2CCCC(=O)CCC2)c1N>>CC1CCCC(Nc2cccc(CCC3CCCC(=O)CCC3)c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Phe
+reductive_amination_ketone	3919	CC1CCCC(=O)CCC1.Nc1cccc(CCC2CCCC(=O)CCC2)c1N>>CC1CCCC(Nc2cccc(CCC3CCCC(=O)CCC3)c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Phe
 reductive_amination_ketone	3920	CC1CCCC(=O)CCC1.Nc1cc2ccc(CCC3CCCC(=O)CCC3)cc2cc1N>>CC1CCCC(Nc2cc3ccc(CCC4CCCC(=O)CCC4)cc3cc2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_PhePhe
 reductive_amination_ketone	3921	CC1CCCC(=O)CCC1.CC(CC1CCCC(=O)CCC1)c1ccc(Nc2ccncc2N)cc1>>CC1CCCC(N(c2ccc(C(C)CC3CCCC(=O)CCC3)cc2)c2ccncc2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	3922	CC1CCCC(=O)CCC1.Nc1cnccc1Nc1cncc(CCC2CCCC(=O)CCC2)c1>>CC1CCCC(N(c2cncc(CCC3CCCC(=O)CCC3)c2)c2ccncc2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3927,11 +3927,11 @@ reductive_amination_ketone	3925	CC1CCCC(=O)CCC1.O=C1CCCC(CC2CCc3ccncc3Nc3ccccc3C
 reductive_amination_ketone	3926	CC1CCCC(=O)CCC1.O=C1CCCC(CC2CCc3cnccc3Nc3cnccc3C2)CCC1>>CC1CCCC(N2c3ccncc3CCC(CC3CCCC(=O)CCC3)Cc3ccncc32)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	3927	CC1CCCC(=O)CCC1.O=C1CCCC(Cc2cnc3c(c2)NCCC3)CCC1>>CC1CCCC(N2CCCc3ncc(CC4CCCC(=O)CCC4)cc32)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	3928	CC1CCCC(=O)CCC1.O=C1CCCC(Cc2cnc3c(c2)NC=CC3)CCC1>>CC1CCCC(N2C=CCc3ncc(CC4CCCC(=O)CCC4)cc32)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticCyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	3929	CC1CCCC(=O)CCC1.Nc1occ(CCC2CCCC(=O)CCC2)c1N>>CC1CCCC(Nc2occ(CCC3CCCC(=O)CCC3)c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het5
+reductive_amination_ketone	3929	CC1CCCC(=O)CCC1.Nc1occ(CCC2CCCC(=O)CCC2)c1N>>CC1CCCC(Nc2occ(CCC3CCCC(=O)CCC3)c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het5
 reductive_amination_ketone	3930	CC1CCCC(=O)CCC1.Nc1oc2c(CCC3CCCC(=O)CCC3)occ2c1N>>CC1CCCC(Nc2oc3c(CCC4CCCC(=O)CCC4)occ3c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het5Het5
 reductive_amination_ketone	3931	CC1CCCC(=O)CCC1.Nc1oc2cc(CCC3CCCC(=O)CCC3)ncc2c1N>>CC1CCCC(Nc2oc3cc(CCC4CCCC(=O)CCC4)ncc3c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het5Het6
 reductive_amination_ketone	3932	CC1CCCC(=O)CCC1.Nc1oc2ccc(CCC3CCCC(=O)CCC3)cc2c1N>>CC1CCCC(Nc2oc3ccc(CCC4CCCC(=O)CCC4)cc3c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het5Phe
-reductive_amination_ketone	3933	CC1CCCC(=O)CCC1.Nc1nccc(CCC2CCCC(=O)CCC2)c1N>>CC1CCCC(Nc2nccc(CCC3CCCC(=O)CCC3)c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het6
+reductive_amination_ketone	3933	CC1CCCC(=O)CCC1.Nc1nccc(CCC2CCCC(=O)CCC2)c1N>>CC1CCCC(Nc2nccc(CCC3CCCC(=O)CCC3)c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het6
 reductive_amination_ketone	3934	CC1CCCC(=O)CCC1.Nc1c(CC2CCCC(=O)CCC2)nc2cocc2c1N>>CC1CCCC(Nc2c(CC3CCCC(=O)CCC3)nc3cocc3c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het6Het5
 reductive_amination_ketone	3935	CC1CCCC(=O)CCC1.Nc1ncc2cc(CCC3CCCC(=O)CCC3)ncc2c1N>>CC1CCCC(Nc2ncc3cc(CCC4CCCC(=O)CCC4)ncc3c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het6Het6
 reductive_amination_ketone	3936	CC1CCCC(=O)CCC1.Nc1ncc2ccc(CCC3CCCC(=O)CCC3)cc2c1N>>CC1CCCC(Nc2ncc3ccc(CCC4CCCC(=O)CCC4)cc3c2N)CCC1	[#6;R;$([#6;D3;$([#6](=O)([#6;A])[#6;A])]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticCyclic.Amine_Primary_Het6Phe
@@ -3953,7 +3953,7 @@ reductive_amination_ketone	3951	CCCCCCC(C)=O.CC(=O)CCCCCCCNC=CNc1ccccc1>>CCCCCCC
 reductive_amination_ketone	3952	CCCCCCC(C)=O.CC(=O)CCCCCCC1CCc2ccccc2Nc2ccccc2C1>>CCCCCCC(C)N1c2ccccc2CCC(CCCCCCC(C)=O)Cc2ccccc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	3953	CCCCCCC(C)=O.CC(=O)CCCCCCc1ccc2c(c1)NCCC2>>CCCCCCC(C)N1CCCc2ccc(CCCCCCC(C)=O)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	3954	CCCCCCC(C)=O.CC(=O)CCCCCCc1ccc2c(c1)NC=CC2>>CCCCCCC(C)N1C=CCc2ccc(CCCCCCC(C)=O)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	3955	CCCCCCC(C)=O.CC(=O)CCCCCCCc1cccc(N)c1N>>CCCCCCC(C)Nc1cccc(CCCCCCCC(C)=O)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Phe
+reductive_amination_ketone	3955	CCCCCCC(C)=O.CC(=O)CCCCCCCc1cccc(N)c1N>>CCCCCCC(C)Nc1cccc(CCCCCCCC(C)=O)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Phe
 reductive_amination_ketone	3956	CCCCCCC(C)=O.CC(=O)CCCCCCCc1ccc2cc(N)c(N)cc2c1>>CCCCCCC(C)Nc1cc2ccc(CCCCCCCC(C)=O)cc2cc1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_PhePhe
 reductive_amination_ketone	3957	CCCCCCC(C)=O.CC(=O)CCCCCCC(C)c1ccc(Nc2ccncc2N)cc1>>CCCCCCC(C)N(c1ccc(C(C)CCCCCCC(C)=O)cc1)c1ccncc1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	3958	CCCCCCC(C)=O.CC(=O)CCCCCCCc1cncc(Nc2ccncc2N)c1>>CCCCCCC(C)N(c1cncc(CCCCCCCC(C)=O)c1)c1ccncc1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3963,11 +3963,11 @@ reductive_amination_ketone	3961	CCCCCCC(C)=O.CC(=O)CCCCCCC1CCc2ccncc2Nc2ccccc2C1
 reductive_amination_ketone	3962	CCCCCCC(C)=O.CC(=O)CCCCCCC1CCc2cnccc2Nc2cnccc2C1>>CCCCCCC(C)N1c2ccncc2CCC(CCCCCCC(C)=O)Cc2ccncc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	3963	CCCCCCC(C)=O.CC(=O)CCCCCCc1cnc2c(c1)NCCC2>>CCCCCCC(C)N1CCCc2ncc(CCCCCCC(C)=O)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	3964	CCCCCCC(C)=O.CC(=O)CCCCCCc1cnc2c(c1)NC=CC2>>CCCCCCC(C)N1C=CCc2ncc(CCCCCCC(C)=O)cc21	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneAliphaticAcyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	3965	CCCCCCC(C)=O.CC(=O)CCCCCCCc1coc(N)c1N>>CCCCCCC(C)Nc1occ(CCCCCCCC(C)=O)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het5
+reductive_amination_ketone	3965	CCCCCCC(C)=O.CC(=O)CCCCCCCc1coc(N)c1N>>CCCCCCC(C)Nc1occ(CCCCCCCC(C)=O)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het5
 reductive_amination_ketone	3966	CCCCCCC(C)=O.CC(=O)CCCCCCCc1occ2c(N)c(N)oc12>>CCCCCCC(C)Nc1c(N)oc2c(CCCCCCCC(C)=O)occ12	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het5Het5
 reductive_amination_ketone	3967	CCCCCCC(C)=O.CC(=O)CCCCCCCc1cc2oc(N)c(N)c2cn1>>CCCCCCC(C)Nc1oc2cc(CCCCCCCC(C)=O)ncc2c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het5Het6
 reductive_amination_ketone	3968	CCCCCCC(C)=O.CC(=O)CCCCCCCc1ccc2oc(N)c(N)c2c1>>CCCCCCC(C)Nc1oc2ccc(CCCCCCCC(C)=O)cc2c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het5Phe
-reductive_amination_ketone	3969	CCCCCCC(C)=O.CC(=O)CCCCCCCc1ccnc(N)c1N>>CCCCCCC(C)Nc1nccc(CCCCCCCC(C)=O)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het6
+reductive_amination_ketone	3969	CCCCCCC(C)=O.CC(=O)CCCCCCCc1ccnc(N)c1N>>CCCCCCC(C)Nc1nccc(CCCCCCCC(C)=O)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het6
 reductive_amination_ketone	3970	CCCCCCC(C)=O.CC(=O)CCCCCCc1nc2cocc2c(N)c1N>>CCCCCCC(C)Nc1c(N)c(CCCCCCC(C)=O)nc2cocc12	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het6Het5
 reductive_amination_ketone	3971	CCCCCCC(C)=O.CC(=O)CCCCCCCc1cc2cnc(N)c(N)c2cn1>>CCCCCCC(C)Nc1ncc2cc(CCCCCCCC(C)=O)ncc2c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het6Het6
 reductive_amination_ketone	3972	CCCCCCC(C)=O.CC(=O)CCCCCCCc1ccc2cnc(N)c(N)c2c1>>CCCCCCC(C)Nc1ncc2ccc(CCCCCCCC(C)=O)cc2c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;A;!$(*=*)])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[A:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneAliphaticAcyclic.Amine_Primary_Het6Phe
@@ -3989,7 +3989,7 @@ reductive_amination_ketone	3987	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(CCNC=CNc3ccccc3)
 reductive_amination_ketone	3988	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(CC3CCc4ccccc4Nc4ccccc4C3)c21>>Cc1cccc2c1C(N1c3ccccc3CCC(Cc3cccc4c3C(=O)CC4)Cc3ccccc31)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	3989	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(Cc3ccc4c(c3)NCCC4)c21>>Cc1cccc2c1C(N1CCCc3ccc(Cc4cccc5c4C(=O)CC5)cc31)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	3990	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(Cc3ccc4c(c3)NC=CC4)c21>>Cc1cccc2c1C(N1C=CCc3ccc(Cc4cccc5c4C(=O)CC5)cc31)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	3991	Cc1cccc2c1C(=O)CC2.Nc1cccc(CCc2cccc3c2C(=O)CC3)c1N>>Cc1cccc2c1C(Nc1cccc(CCc3cccc4c3C(=O)CC4)c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Phe
+reductive_amination_ketone	3991	Cc1cccc2c1C(=O)CC2.Nc1cccc(CCc2cccc3c2C(=O)CC3)c1N>>Cc1cccc2c1C(Nc1cccc(CCc3cccc4c3C(=O)CC4)c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Phe
 reductive_amination_ketone	3992	Cc1cccc2c1C(=O)CC2.Nc1cc2ccc(CCc3cccc4c3C(=O)CC4)cc2cc1N>>Cc1cccc2c1C(Nc1cc3ccc(CCc4cccc5c4C(=O)CC5)cc3cc1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_PhePhe
 reductive_amination_ketone	3993	Cc1cccc2c1C(=O)CC2.CC(Cc1cccc2c1C(=O)CC2)c1ccc(Nc2ccncc2N)cc1>>Cc1cccc2c1C(N(c1ccc(C(C)Cc3cccc4c3C(=O)CC4)cc1)c1ccncc1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	3994	Cc1cccc2c1C(=O)CC2.Nc1cnccc1Nc1cncc(CCc2cccc3c2C(=O)CC3)c1>>Cc1cccc2c1C(N(c1cncc(CCc3cccc4c3C(=O)CC4)c1)c1ccncc1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -3999,11 +3999,11 @@ reductive_amination_ketone	3997	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(CC3CCc4ccncc4Nc4
 reductive_amination_ketone	3998	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(CC3CCc4cnccc4Nc4cnccc4C3)c21>>Cc1cccc2c1C(N1c3ccncc3CCC(Cc3cccc4c3C(=O)CC4)Cc3ccncc31)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	3999	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(Cc3cnc4c(c3)NCCC4)c21>>Cc1cccc2c1C(N1CCCc3ncc(Cc4cccc5c4C(=O)CC5)cc31)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	4000	Cc1cccc2c1C(=O)CC2.O=C1CCc2cccc(Cc3cnc4c(c3)NC=CC4)c21>>Cc1cccc2c1C(N1C=CCc3ncc(Cc4cccc5c4C(=O)CC5)cc31)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixCyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	4001	Cc1cccc2c1C(=O)CC2.Nc1occ(CCc2cccc3c2C(=O)CC3)c1N>>Cc1cccc2c1C(Nc1occ(CCc3cccc4c3C(=O)CC4)c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het5
+reductive_amination_ketone	4001	Cc1cccc2c1C(=O)CC2.Nc1occ(CCc2cccc3c2C(=O)CC3)c1N>>Cc1cccc2c1C(Nc1occ(CCc3cccc4c3C(=O)CC4)c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het5
 reductive_amination_ketone	4002	Cc1cccc2c1C(=O)CC2.Nc1oc2c(CCc3cccc4c3C(=O)CC4)occ2c1N>>Cc1cccc2c1C(Nc1oc3c(CCc4cccc5c4C(=O)CC5)occ3c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het5Het5
 reductive_amination_ketone	4003	Cc1cccc2c1C(=O)CC2.Nc1oc2cc(CCc3cccc4c3C(=O)CC4)ncc2c1N>>Cc1cccc2c1C(Nc1oc3cc(CCc4cccc5c4C(=O)CC5)ncc3c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het5Het6
 reductive_amination_ketone	4004	Cc1cccc2c1C(=O)CC2.Nc1oc2ccc(CCc3cccc4c3C(=O)CC4)cc2c1N>>Cc1cccc2c1C(Nc1oc3ccc(CCc4cccc5c4C(=O)CC5)cc3c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het5Phe
-reductive_amination_ketone	4005	Cc1cccc2c1C(=O)CC2.Nc1nccc(CCc2cccc3c2C(=O)CC3)c1N>>Cc1cccc2c1C(Nc1nccc(CCc3cccc4c3C(=O)CC4)c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het6
+reductive_amination_ketone	4005	Cc1cccc2c1C(=O)CC2.Nc1nccc(CCc2cccc3c2C(=O)CC3)c1N>>Cc1cccc2c1C(Nc1nccc(CCc3cccc4c3C(=O)CC4)c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het6
 reductive_amination_ketone	4006	Cc1cccc2c1C(=O)CC2.Nc1c(Cc2cccc3c2C(=O)CC3)nc2cocc2c1N>>Cc1cccc2c1C(Nc1c(Cc3cccc4c3C(=O)CC4)nc3cocc3c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het6Het5
 reductive_amination_ketone	4007	Cc1cccc2c1C(=O)CC2.Nc1ncc2cc(CCc3cccc4c3C(=O)CC4)ncc2c1N>>Cc1cccc2c1C(Nc1ncc3cc(CCc4cccc5c4C(=O)CC5)ncc3c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het6Het6
 reductive_amination_ketone	4008	Cc1cccc2c1C(=O)CC2.Nc1ncc2ccc(CCc3cccc4c3C(=O)CC4)cc2c1N>>Cc1cccc2c1C(Nc1ncc3ccc(CCc4cccc5c4C(=O)CC5)cc3c1N)CC2	[#6;R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixCyclic.Amine_Primary_Het6Phe
@@ -4025,7 +4025,7 @@ reductive_amination_ketone	4023	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCNC=CNc1ccccc1>
 reductive_amination_ketone	4024	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>CCC(=O)c1ccccc1CC1CCc2ccccc2N(C(CC)c2ccccc2C)c2ccccc2C1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	4025	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1Cc1ccc2c(c1)NCCC2>>CCC(=O)c1ccccc1Cc1ccc2c(c1)N(C(CC)c1ccccc1C)CCC2	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	4026	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1Cc1ccc2c(c1)NC=CC2>>CCC(=O)c1ccccc1Cc1ccc2c(c1)N(C(CC)c1ccccc1C)C=CC2	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	4027	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1cccc(N)c1N>>CCC(=O)c1ccccc1CCc1cccc(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Phe
+reductive_amination_ketone	4027	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1cccc(N)c1N>>CCC(=O)c1ccccc1CCc1cccc(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Phe
 reductive_amination_ketone	4028	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1ccc2cc(N)c(N)cc2c1>>CCC(=O)c1ccccc1CCc1ccc2cc(NC(CC)c3ccccc3C)c(N)cc2c1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_PhePhe
 reductive_amination_ketone	4029	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CC(C)c1ccc(Nc2ccncc2N)cc1>>CCC(=O)c1ccccc1CC(C)c1ccc(N(c2ccncc2N)C(CC)c2ccccc2C)cc1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	4030	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1cncc(Nc2ccncc2N)c1>>CCC(=O)c1ccccc1CCc1cncc(N(c2ccncc2N)C(CC)c2ccccc2C)c1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -4035,11 +4035,11 @@ reductive_amination_ketone	4033	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CC1CCc2ccncc2Nc2
 reductive_amination_ketone	4034	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>CCC(=O)c1ccccc1CC1CCc2cnccc2N(C(CC)c2ccccc2C)c2cnccc2C1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	4035	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1Cc1cnc2c(c1)NCCC2>>CCC(=O)c1ccccc1Cc1cnc2c(c1)N(C(CC)c1ccccc1C)CCC2	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	4036	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1Cc1cnc2c(c1)NC=CC2>>CCC(=O)c1ccccc1Cc1cnc2c(c1)N(C(CC)c1ccccc1C)C=CC2	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	KetoneMixAcyclic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	4037	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1coc(N)c1N>>CCC(=O)c1ccccc1CCc1coc(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het5
+reductive_amination_ketone	4037	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1coc(N)c1N>>CCC(=O)c1ccccc1CCc1coc(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het5
 reductive_amination_ketone	4038	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1occ2c(N)c(N)oc12>>CCC(=O)c1ccccc1CCc1occ2c(NC(CC)c3ccccc3C)c(N)oc12	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het5Het5
 reductive_amination_ketone	4039	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1cc2oc(N)c(N)c2cn1>>CCC(=O)c1ccccc1CCc1cc2oc(NC(CC)c3ccccc3C)c(N)c2cn1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het5Het6
 reductive_amination_ketone	4040	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1ccc2oc(N)c(N)c2c1>>CCC(=O)c1ccccc1CCc1ccc2oc(NC(CC)c3ccccc3C)c(N)c2c1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het5Phe
-reductive_amination_ketone	4041	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1ccnc(N)c1N>>CCC(=O)c1ccccc1CCc1ccnc(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het6
+reductive_amination_ketone	4041	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1ccnc(N)c1N>>CCC(=O)c1ccccc1CCc1ccnc(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het6
 reductive_amination_ketone	4042	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1Cc1nc2cocc2c(N)c1N>>CCC(=O)c1ccccc1Cc1nc2cocc2c(NC(CC)c2ccccc2C)c1N	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het6Het5
 reductive_amination_ketone	4043	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1cc2cnc(N)c(N)c2cn1>>CCC(=O)c1ccccc1CCc1cc2cnc(NC(CC)c3ccccc3C)c(N)c2cn1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het6Het6
 reductive_amination_ketone	4044	CCC(=O)c1ccccc1C.CCC(=O)c1ccccc1CCc1ccc2cnc(N)c(N)c2c1>>CCC(=O)c1ccccc1CCc1ccc2cnc(NC(CC)c3ccccc3C)c(N)c2c1	[#6;!R;$([#6;D3;$([#6](=O)([#6;a])[#6;A;!$(*=*)])]);!$([#6](=O)[C;D2][F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):1]([A:2])[a:3].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	KetoneMixAcyclic.Amine_Primary_Het6Phe
@@ -4061,7 +4061,7 @@ reductive_amination_ketone	4059	CCC(C)=S.CC(=S)CCCNC=CNc1ccccc1>>C(CC)N(C=CNCCCC
 reductive_amination_ketone	4060	CCC(C)=S.CC(=S)CCC1CCc2ccccc2Nc2ccccc2C1>>C(CC)N1c2ccccc2CCC(CCC(C)=S)Cc2ccccc21	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_ketone	4061	CCC(C)=S.CC(=S)CCc1ccc2c(c1)NCCC2>>C(CC)N1CCCc2ccc(CCC(C)=S)cc21	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_ketone	4062	CCC(C)=S.CC(=S)CCc1ccc2c(c1)NC=CC2>>C(CC)N1C=CCc2ccc(CCC(C)=S)cc21	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_ketone	4063	CCC(C)=S.CC(=S)CCCc1cccc(N)c1N>>C(CC)Nc1cccc(CCCC(C)=S)c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Phe
+reductive_amination_ketone	4063	CCC(C)=S.CC(=S)CCCc1cccc(N)c1N>>C(CC)Nc1cccc(CCCC(C)=S)c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Phe
 reductive_amination_ketone	4064	CCC(C)=S.CC(=S)CCCc1ccc2cc(N)c(N)cc2c1>>C(CC)Nc1cc2ccc(CCCC(C)=S)cc2cc1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_PhePhe
 reductive_amination_ketone	4065	CCC(C)=S.CC(=S)CCC(C)c1ccc(Nc2ccncc2N)cc1>>C(CC)N(c1ccc(C(C)CCC(C)=S)cc1)c1ccncc1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_ketone	4066	CCC(C)=S.CC(=S)CCCc1cncc(Nc2ccncc2N)c1>>C(CC)N(c1cncc(CCCC(C)=S)c1)c1ccncc1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -4071,11 +4071,11 @@ reductive_amination_ketone	4069	CCC(C)=S.CC(=S)CCC1CCc2ccncc2Nc2ccccc2C1>>C(CC)N
 reductive_amination_ketone	4070	CCC(C)=S.CC(=S)CCC1CCc2cnccc2Nc2cnccc2C1>>C(CC)N1c2ccncc2CCC(CCC(C)=S)Cc2ccncc21	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_ketone	4071	CCC(C)=S.CC(=S)CCc1cnc2c(c1)NCCC2>>C(CC)N1CCCc2ncc(CCC(C)=S)cc21	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_ketone	4072	CCC(C)=S.CC(=S)CCc1cnc2c(c1)NC=CC2>>C(CC)N1C=CCc2ncc(CCC(C)=S)cc21	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):4]([#6:5])[#6:6]>>C([*:2])([*:3])[N:4]([#6:5])[#6:6]	Thioketone.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_ketone	4073	CCC(C)=S.CC(=S)CCCc1coc(N)c1N>>C(CC)Nc1occ(CCCC(C)=S)c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het5
+reductive_amination_ketone	4073	CCC(C)=S.CC(=S)CCCc1coc(N)c1N>>C(CC)Nc1occ(CCCC(C)=S)c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het5
 reductive_amination_ketone	4074	CCC(C)=S.CC(=S)CCCc1occ2c(N)c(N)oc12>>C(CC)Nc1c(N)oc2c(CCCC(C)=S)occ12	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het5Het5
 reductive_amination_ketone	4075	CCC(C)=S.CC(=S)CCCc1cc2oc(N)c(N)c2cn1>>C(CC)Nc1oc2cc(CCCC(C)=S)ncc2c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het5Het6
 reductive_amination_ketone	4076	CCC(C)=S.CC(=S)CCCc1ccc2oc(N)c(N)c2c1>>C(CC)Nc1oc2ccc(CCCC(C)=S)cc2c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het5Phe
-reductive_amination_ketone	4077	CCC(C)=S.CC(=S)CCCc1ccnc(N)c1N>>C(CC)Nc1nccc(CCCC(C)=S)c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het6
+reductive_amination_ketone	4077	CCC(C)=S.CC(=S)CCCc1ccnc(N)c1N>>C(CC)Nc1nccc(CCCC(C)=S)c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het6
 reductive_amination_ketone	4078	CCC(C)=S.CC(=S)CCc1nc2cocc2c(N)c1N>>C(CC)Nc1c(N)c(CCC(C)=S)nc2cocc12	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het6Het5
 reductive_amination_ketone	4079	CCC(C)=S.CC(=S)CCCc1cc2cnc(N)c(N)c2cn1>>C(CC)Nc1ncc2cc(CCCC(C)=S)ncc2c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het6Het6
 reductive_amination_ketone	4080	CCC(C)=S.CC(=S)CCCc1ccc2cnc(N)c(N)c2c1>>C(CC)Nc1ncc2ccc(CCCC(C)=S)cc2c1N	[#6;$([#6;D3;$([#6](=S)([#6;!$(*=*)])[#6;!$(*=*)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):4][#6:5]>>C([*:2])([*:3])[N:4][#6:5]	Thioketone.Amine_Primary_Het6Phe
@@ -4219,15 +4219,15 @@ chan_lam	4217	Cc1ccc2c(c1)NC=CC2.CC1(C)OB(CCCc2ccc3c(c2)NC=CC3)OC1(C)C>>Cc1ccc2c
 chan_lam	4218	Cc1ccc2c(c1)NC=CC2.CC1(C)OB(C=CCCc2ccc3c(c2)NC=CC3)OC1(C)C>>Cc1ccc2c(c1)N(C=CCCc1ccc3c(c1)NC=CC3)C=CC2	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):1]([#6:2])[#6:3].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):4][#6:5]>>[N:1]([#6:2])([#6:3])[#6:5]	Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic.Boronate_UnsaturatedAliphatic
 chan_lam	4219	Cc1ccc2c(c1)NC=CC2.CC1(C)OB(c2ccccc2CCc2ccc3c(c2)NC=CC3)OC1(C)C>>Cc1ccc2c(c1)N(c1ccccc1CCc1ccc3c(c1)NC=CC3)C=CC2	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):1]([#6:2])[#6:3].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):4][a:5]>>[N:1]([#6:2])([#6:3])[a:5]	Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic.Boronate_Aromatic
 chan_lam	4220	Cc1ccc2c(c1)NC=CC2.CC1(C)OB(c2ccncc2CCc2ccc3c(c2)NC=CC3)OC1(C)C>>Cc1ccc2c(c1)N(c1ccncc1CCc1ccc3c(c1)NC=CC3)C=CC2	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):1]([#6:2])[#6:3].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):4][a:5]>>[N:1]([#6:2])([#6:3])[a:5]	Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic.Boronate_Heteroaromatic
-chan_lam	4221	CCc1cccc(N)c1N.Nc1cccc(CCCCB(O)O)c1N>>CCc1cccc(NCCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_SaturatedAliphatic
-chan_lam	4222	CCc1cccc(N)c1N.Nc1cccc(CCCC=CB(O)O)c1N>>CCc1cccc(NC=CCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_UnsaturatedAliphatic
-chan_lam	4223	CCc1cccc(N)c1N.Nc1cccc(CCC2CCCB(O)O2)c1N>>CCc1cccc(NCCCC(O)CCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.BoronicCyclic
-chan_lam	4224	CCc1cccc(N)c1N.Nc1cccc(CCCc2ccccc2B(O)O)c1N>>CCc1cccc(Nc2ccccc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_Aromatic
-chan_lam	4225	CCc1cccc(N)c1N.Nc1cccc(CCCc2cnccc2B(O)O)c1N>>CCc1cccc(Nc2ccncc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_Heteroaromatic
-chan_lam	4226	CCc1cccc(N)c1N.CC1(C)OB(CCCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(NCCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronate_SaturatedAliphatic
-chan_lam	4227	CCc1cccc(N)c1N.CC1(C)OB(C=CCCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(NC=CCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronate_UnsaturatedAliphatic
-chan_lam	4228	CCc1cccc(N)c1N.CC1(C)OB(c2ccccc2CCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(Nc2ccccc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Phe.Boronate_Aromatic
-chan_lam	4229	CCc1cccc(N)c1N.CC1(C)OB(c2ccncc2CCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(Nc2ccncc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Phe.Boronate_Heteroaromatic
+chan_lam	4221	CCc1cccc(N)c1N.Nc1cccc(CCCCB(O)O)c1N>>CCc1cccc(NCCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_SaturatedAliphatic
+chan_lam	4222	CCc1cccc(N)c1N.Nc1cccc(CCCC=CB(O)O)c1N>>CCc1cccc(NC=CCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_UnsaturatedAliphatic
+chan_lam	4223	CCc1cccc(N)c1N.Nc1cccc(CCC2CCCB(O)O2)c1N>>CCc1cccc(NCCCC(O)CCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.BoronicCyclic
+chan_lam	4224	CCc1cccc(N)c1N.Nc1cccc(CCCc2ccccc2B(O)O)c1N>>CCc1cccc(Nc2ccccc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_Aromatic
+chan_lam	4225	CCc1cccc(N)c1N.Nc1cccc(CCCc2cnccc2B(O)O)c1N>>CCc1cccc(Nc2ccncc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronic_Heteroaromatic
+chan_lam	4226	CCc1cccc(N)c1N.CC1(C)OB(CCCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(NCCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronate_SaturatedAliphatic
+chan_lam	4227	CCc1cccc(N)c1N.CC1(C)OB(C=CCCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(NC=CCCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Phe.Boronate_UnsaturatedAliphatic
+chan_lam	4228	CCc1cccc(N)c1N.CC1(C)OB(c2ccccc2CCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(Nc2ccccc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Phe.Boronate_Aromatic
+chan_lam	4229	CCc1cccc(N)c1N.CC1(C)OB(c2ccncc2CCCc2cccc(N)c2N)OC1(C)C>>CCc1cccc(Nc2ccncc2CCCc2cccc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Phe.Boronate_Heteroaromatic
 chan_lam	4230	CCc1ccc2cc(N)c(N)cc2c1.Nc1cc2ccc(CCCCB(O)O)cc2cc1N>>CCc1ccc2cc(NCCCCc3ccc4cc(N)c(N)cc4c3)c(N)cc2c1	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_PhePhe.Boronic_SaturatedAliphatic
 chan_lam	4231	CCc1ccc2cc(N)c(N)cc2c1.Nc1cc2ccc(CCCC=CB(O)O)cc2cc1N>>CCc1ccc2cc(NC=CCCCc3ccc4cc(N)c(N)cc4c3)c(N)cc2c1	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_PhePhe.Boronic_UnsaturatedAliphatic
 chan_lam	4232	CCc1ccc2cc(N)c(N)cc2c1.Nc1cc2ccc(CCC3CCCB(O)O3)cc2cc1N>>CCc1ccc2cc(NCCCC(O)CCc3ccc4cc(N)c(N)cc4c3)c(N)cc2c1	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_PhePhe.BoronicCyclic
@@ -4309,15 +4309,15 @@ chan_lam	4307	Cc1cnc2c(c1)NC=CC2.CC1(C)OB(CCCc2cnc3c(c2)NC=CC3)OC1(C)C>>Cc1cnc2c
 chan_lam	4308	Cc1cnc2c(c1)NC=CC2.CC1(C)OB(C=CCCc2cnc3c(c2)NC=CC3)OC1(C)C>>Cc1cnc2c(c1)N(C=CCCc1cnc3c(c1)NC=CC3)C=CC2	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):1]([#6:2])[#6:3].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):4][#6:5]>>[N:1]([#6:2])([#6:3])[#6:5]	Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic.Boronate_UnsaturatedAliphatic
 chan_lam	4309	Cc1cnc2c(c1)NC=CC2.CC1(C)OB(c2ccccc2CCc2cnc3c(c2)NC=CC3)OC1(C)C>>Cc1cnc2c(c1)N(c1ccccc1CCc1cnc3c(c1)NC=CC3)C=CC2	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):1]([#6:2])[#6:3].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):4][a:5]>>[N:1]([#6:2])([#6:3])[a:5]	Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic.Boronate_Aromatic
 chan_lam	4310	Cc1cnc2c(c1)NC=CC2.CC1(C)OB(c2ccncc2CCc2cnc3c(c2)NC=CC3)OC1(C)C>>Cc1cnc2c(c1)N(c1ccncc1CCc1cnc3c(c1)NC=CC3)C=CC2	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):1]([#6:2])[#6:3].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):4][a:5]>>[N:1]([#6:2])([#6:3])[a:5]	Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic.Boronate_Heteroaromatic
-chan_lam	4311	CCc1coc(N)c1N.Nc1occ(CCCCB(O)O)c1N>>CCc1coc(NCCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_SaturatedAliphatic
-chan_lam	4312	CCc1coc(N)c1N.Nc1occ(CCCC=CB(O)O)c1N>>CCc1coc(NC=CCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_UnsaturatedAliphatic
-chan_lam	4313	CCc1coc(N)c1N.Nc1occ(CCC2CCCB(O)O2)c1N>>CCc1coc(NCCCC(O)CCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.BoronicCyclic
-chan_lam	4314	CCc1coc(N)c1N.Nc1occ(CCCc2ccccc2B(O)O)c1N>>CCc1coc(Nc2ccccc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_Aromatic
-chan_lam	4315	CCc1coc(N)c1N.Nc1occ(CCCc2cnccc2B(O)O)c1N>>CCc1coc(Nc2ccncc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_Heteroaromatic
-chan_lam	4316	CCc1coc(N)c1N.CC1(C)OB(CCCCc2coc(N)c2N)OC1(C)C>>CCc1coc(NCCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronate_SaturatedAliphatic
-chan_lam	4317	CCc1coc(N)c1N.CC1(C)OB(C=CCCCc2coc(N)c2N)OC1(C)C>>CCc1coc(NC=CCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronate_UnsaturatedAliphatic
-chan_lam	4318	CCc1coc(N)c1N.CC1(C)OB(c2ccccc2CCCc2coc(N)c2N)OC1(C)C>>CCc1coc(Nc2ccccc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het5.Boronate_Aromatic
-chan_lam	4319	CCc1coc(N)c1N.CC1(C)OB(c2ccncc2CCCc2coc(N)c2N)OC1(C)C>>CCc1coc(Nc2ccncc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het5.Boronate_Heteroaromatic
+chan_lam	4311	CCc1coc(N)c1N.Nc1occ(CCCCB(O)O)c1N>>CCc1coc(NCCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_SaturatedAliphatic
+chan_lam	4312	CCc1coc(N)c1N.Nc1occ(CCCC=CB(O)O)c1N>>CCc1coc(NC=CCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_UnsaturatedAliphatic
+chan_lam	4313	CCc1coc(N)c1N.Nc1occ(CCC2CCCB(O)O2)c1N>>CCc1coc(NCCCC(O)CCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.BoronicCyclic
+chan_lam	4314	CCc1coc(N)c1N.Nc1occ(CCCc2ccccc2B(O)O)c1N>>CCc1coc(Nc2ccccc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_Aromatic
+chan_lam	4315	CCc1coc(N)c1N.Nc1occ(CCCc2cnccc2B(O)O)c1N>>CCc1coc(Nc2ccncc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronic_Heteroaromatic
+chan_lam	4316	CCc1coc(N)c1N.CC1(C)OB(CCCCc2coc(N)c2N)OC1(C)C>>CCc1coc(NCCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronate_SaturatedAliphatic
+chan_lam	4317	CCc1coc(N)c1N.CC1(C)OB(C=CCCCc2coc(N)c2N)OC1(C)C>>CCc1coc(NC=CCCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5.Boronate_UnsaturatedAliphatic
+chan_lam	4318	CCc1coc(N)c1N.CC1(C)OB(c2ccccc2CCCc2coc(N)c2N)OC1(C)C>>CCc1coc(Nc2ccccc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het5.Boronate_Aromatic
+chan_lam	4319	CCc1coc(N)c1N.CC1(C)OB(c2ccncc2CCCc2coc(N)c2N)OC1(C)C>>CCc1coc(Nc2ccncc2CCCc2coc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het5.Boronate_Heteroaromatic
 chan_lam	4320	CCc1occ2c(N)c(N)oc12.Nc1oc2c(CCCCB(O)O)occ2c1N>>CCc1occ2c(NCCCCc3occ4c(N)c(N)oc34)c(N)oc12	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5Het5.Boronic_SaturatedAliphatic
 chan_lam	4321	CCc1occ2c(N)c(N)oc12.Nc1oc2c(CCCC=CB(O)O)occ2c1N>>CCc1occ2c(NC=CCCCc3occ4c(N)c(N)oc34)c(N)oc12	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5Het5.Boronic_UnsaturatedAliphatic
 chan_lam	4322	CCc1occ2c(N)c(N)oc12.Nc1oc2c(CCC3CCCB(O)O3)occ2c1N>>CCc1occ2c(NCCCC(O)CCc3occ4c(N)c(N)oc34)c(N)oc12	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5Het5.BoronicCyclic
@@ -4345,15 +4345,15 @@ chan_lam	4343	CCc1ccc2oc(N)c(N)c2c1.CC1(C)OB(CCCCc2ccc3oc(N)c(N)c3c2)OC1(C)C>>CC
 chan_lam	4344	CCc1ccc2oc(N)c(N)c2c1.CC1(C)OB(C=CCCCc2ccc3oc(N)c(N)c3c2)OC1(C)C>>CCc1ccc2oc(NC=CCCCc3ccc4oc(N)c(N)c4c3)c(N)c2c1	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het5Phe.Boronate_UnsaturatedAliphatic
 chan_lam	4345	CCc1ccc2oc(N)c(N)c2c1.CC1(C)OB(c2ccccc2CCCc2ccc3oc(N)c(N)c3c2)OC1(C)C>>CCc1ccc2oc(Nc3ccccc3CCCc3ccc4oc(N)c(N)c4c3)c(N)c2c1	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het5Phe.Boronate_Aromatic
 chan_lam	4346	CCc1ccc2oc(N)c(N)c2c1.CC1(C)OB(c2ccncc2CCCc2ccc3oc(N)c(N)c3c2)OC1(C)C>>CCc1ccc2oc(Nc3ccncc3CCCc3ccc4oc(N)c(N)c4c3)c(N)c2c1	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het5Phe.Boronate_Heteroaromatic
-chan_lam	4347	CCc1ccnc(N)c1N.Nc1nccc(CCCCB(O)O)c1N>>CCc1ccnc(NCCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_SaturatedAliphatic
-chan_lam	4348	CCc1ccnc(N)c1N.Nc1nccc(CCCC=CB(O)O)c1N>>CCc1ccnc(NC=CCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_UnsaturatedAliphatic
-chan_lam	4349	CCc1ccnc(N)c1N.Nc1nccc(CCC2CCCB(O)O2)c1N>>CCc1ccnc(NCCCC(O)CCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.BoronicCyclic
-chan_lam	4350	CCc1ccnc(N)c1N.Nc1nccc(CCCc2ccccc2B(O)O)c1N>>CCc1ccnc(Nc2ccccc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_Aromatic
-chan_lam	4351	CCc1ccnc(N)c1N.Nc1nccc(CCCc2cnccc2B(O)O)c1N>>CCc1ccnc(Nc2ccncc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_Heteroaromatic
-chan_lam	4352	CCc1ccnc(N)c1N.CC1(C)OB(CCCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(NCCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronate_SaturatedAliphatic
-chan_lam	4353	CCc1ccnc(N)c1N.CC1(C)OB(C=CCCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(NC=CCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronate_UnsaturatedAliphatic
-chan_lam	4354	CCc1ccnc(N)c1N.CC1(C)OB(c2ccccc2CCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(Nc2ccccc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het6.Boronate_Aromatic
-chan_lam	4355	CCc1ccnc(N)c1N.CC1(C)OB(c2ccncc2CCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(Nc2ccncc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het6.Boronate_Heteroaromatic
+chan_lam	4347	CCc1ccnc(N)c1N.Nc1nccc(CCCCB(O)O)c1N>>CCc1ccnc(NCCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_SaturatedAliphatic
+chan_lam	4348	CCc1ccnc(N)c1N.Nc1nccc(CCCC=CB(O)O)c1N>>CCc1ccnc(NC=CCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_UnsaturatedAliphatic
+chan_lam	4349	CCc1ccnc(N)c1N.Nc1nccc(CCC2CCCB(O)O2)c1N>>CCc1ccnc(NCCCC(O)CCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.BoronicCyclic
+chan_lam	4350	CCc1ccnc(N)c1N.Nc1nccc(CCCc2ccccc2B(O)O)c1N>>CCc1ccnc(Nc2ccccc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_Aromatic
+chan_lam	4351	CCc1ccnc(N)c1N.Nc1nccc(CCCc2cnccc2B(O)O)c1N>>CCc1ccnc(Nc2ccncc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronic_Heteroaromatic
+chan_lam	4352	CCc1ccnc(N)c1N.CC1(C)OB(CCCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(NCCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronate_SaturatedAliphatic
+chan_lam	4353	CCc1ccnc(N)c1N.CC1(C)OB(C=CCCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(NC=CCCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6.Boronate_UnsaturatedAliphatic
+chan_lam	4354	CCc1ccnc(N)c1N.CC1(C)OB(c2ccccc2CCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(Nc2ccccc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het6.Boronate_Aromatic
+chan_lam	4355	CCc1ccnc(N)c1N.CC1(C)OB(c2ccncc2CCCc2ccnc(N)c2N)OC1(C)C>>CCc1ccnc(Nc2ccncc2CCCc2ccnc(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][#6:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[#6:2][N:1][a:4]	Amine_Primary_Het6.Boronate_Heteroaromatic
 chan_lam	4356	Cc1nc2cocc2c(N)c1N.Nc1c(CCCB(O)O)nc2cocc2c1N>>Cc1nc2cocc2c(NCCCc2nc3cocc3c(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6Het5.Boronic_SaturatedAliphatic
 chan_lam	4357	Cc1nc2cocc2c(N)c1N.Nc1c(CCC=CB(O)O)nc2cocc2c1N>>Cc1nc2cocc2c(NC=CCCc2nc3cocc3c(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][#6:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6Het5.Boronic_UnsaturatedAliphatic
 chan_lam	4358	Cc1nc2cocc2c(N)c1N.Nc1c(CC2CCCB(O)O2)nc2cocc2c1N>>Cc1nc2cocc2c(NCCCC(O)Cc2nc3cocc3c(N)c2N)c1N	[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][#6:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[#6:2][N:1][#6:4]	Amine_Primary_Het6Het5.BoronicCyclic
@@ -4556,45 +4556,45 @@ ester_sulfonic_schotten_baumann	4554	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.CC1(O
 ester_sulfonic_schotten_baumann	4555	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCCc1ccccc1O>>CCc1ccccc1S(=O)(=O)Oc1ccccc1CCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[*:2]O[#6:4]	Sulfonyl-Triflate_Aromatic.Phenol
 ester_sulfonic_schotten_baumann	4556	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCCc1ccoc1O>>CCc1ccccc1S(=O)(=O)Oc1occc1CCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[*:2]O[#6:4]	Sulfonyl-Triflate_Aromatic.PhenolHeteroaromatic5membered
 ester_sulfonic_schotten_baumann	4557	CCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)c1ccccc1CCCc1cccnc1O>>CCc1ccccc1S(=O)(=O)Oc1ncccc1CCCc1ccccc1S(=O)(=O)OS(=O)(=O)C(F)(F)F	[O;$(O(S(=O)(=O)C(F)(F)F)S(=O)(=O));$([O;$(OS(=O)(=O)C(F)(F)F);!$(OC(=*));!$(O[C;D2][C;D3](=[O,S]));!$(O[S;D3](=O));!$(O[S;D4](=N)(=O))][S;D4](=O)(=O));$([$(**a)]):1][*;!$(S(=O)(=O)C(F)(F)F):2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[*:2]O[#6:4]	Sulfonyl-Triflate_Aromatic.PhenolHeteroaromatic6membered
-heck	4558	Cc1ccccc1Br.C=CCCCc1ccccc1Br>>Cc1ccccc1C=CCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Phe.AlkeneTerminal
+heck	4558	Cc1ccccc1Br.C=CCCCc1ccccc1Br>>Cc1ccccc1C=CCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Phe.AlkeneTerminal
 heck	4559	Cc1c(Br)ccc2ccccc12.C=CCCCc1c(Br)ccc2ccccc12>>Cc1c(C=CCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_PhePhe.AlkeneTerminal
-heck	4560	Cc1ccccc1I.C=CCCCc1ccccc1I>>Cc1ccccc1C=CCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Phe.AlkeneTerminal
+heck	4560	Cc1ccccc1I.C=CCCCc1ccccc1I>>Cc1ccccc1C=CCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Phe.AlkeneTerminal
 heck	4561	Cc1c(I)ccc2ccccc12.C=CCCCc1c(I)ccc2ccccc12>>Cc1c(C=CCCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_PhePhe.AlkeneTerminal
-heck	4562	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.C=CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(C=CCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Phe.AlkeneTerminal
+heck	4562	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.C=CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(C=CCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Phe.AlkeneTerminal
 heck	4563	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.C=CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(C=CCCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_PhePhe.AlkeneTerminal
-heck	4564	Cc1cocc1Br.C=CCCCc1cocc1Br>>Cc1cocc1C=CCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het5.AlkeneTerminal
+heck	4564	Cc1cocc1Br.C=CCCCc1cocc1Br>>Cc1cocc1C=CCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het5.AlkeneTerminal
 heck	4565	Cc1c(Br)oc2cocc12.C=CCCCc1c(Br)oc2cocc12>>Cc1c(C=CCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het5Het5.AlkeneTerminal
 heck	4566	Cc1c(Br)oc2ccncc12.C=CCCCc1c(Br)oc2ccncc12>>Cc1c(C=CCCCc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het5Het6.AlkeneTerminal
 heck	4567	Cc1c(Br)oc2ccccc12.C=CCCCc1c(Br)oc2ccccc12>>Cc1c(C=CCCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het5Phe.AlkeneTerminal
-heck	4568	Cc1cnccc1Br.C=CCCCc1cnccc1Br>>Cc1cnccc1C=CCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het6.AlkeneTerminal
+heck	4568	Cc1cnccc1Br.C=CCCCc1cnccc1Br>>Cc1cnccc1C=CCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het6.AlkeneTerminal
 heck	4569	Cc1nc2cocc2cc1Br.C=CCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1C=CCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het6Het5.AlkeneTerminal
 heck	4570	Cc1c(Br)ncc2ccncc12.C=CCCCc1c(Br)ncc2ccncc12>>Cc1c(C=CCCCc2c(Br)ncc3ccncc23)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het6Het6.AlkeneTerminal
 heck	4571	Cc1c(Br)ncc2ccccc12.C=CCCCc1c(Br)ncc2ccccc12>>Cc1c(C=CCCCc2c(Br)ncc3ccccc23)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_Het6Phe.AlkeneTerminal
 heck	4572	Cc1cc2cocc2cc1Br.C=CCCCc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1C=CCCCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_PheHet5.AlkeneTerminal
 heck	4573	CCc1c(Br)ccc2ccncc12.C=CCCCCc1c(Br)ccc2ccncc12>>CCc1c(C=CCCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Bromide_PheHet6.AlkeneTerminal
-heck	4574	Cc1cocc1Cl.C=CCCCc1cocc1Cl>>Cc1cocc1C=CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het5.AlkeneTerminal
+heck	4574	Cc1cocc1Cl.C=CCCCc1cocc1Cl>>Cc1cocc1C=CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het5.AlkeneTerminal
 heck	4575	Cc1c(Cl)oc2cocc12.C=CCCCc1c(Cl)oc2cocc12>>Cc1c(C=CCCCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het5Het5.AlkeneTerminal
 heck	4576	Cc1c(Cl)oc2ccncc12.C=CCCCc1c(Cl)oc2ccncc12>>Cc1c(C=CCCCc2c(Cl)oc3ccncc23)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het5Het6.AlkeneTerminal
 heck	4577	Cc1c(Cl)oc2ccccc12.C=CCCCc1c(Cl)oc2ccccc12>>Cc1c(C=CCCCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het5Phe.AlkeneTerminal
-heck	4578	Cc1cnccc1Cl.C=CCCCc1cnccc1Cl>>Cc1cnccc1C=CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het6.AlkeneTerminal
+heck	4578	Cc1cnccc1Cl.C=CCCCc1cnccc1Cl>>Cc1cnccc1C=CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het6.AlkeneTerminal
 heck	4579	Cc1nc2cocc2cc1Cl.C=CCCCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1C=CCCCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het6Het5.AlkeneTerminal
 heck	4580	Cc1c(Cl)ncc2ccncc12.C=CCCCc1c(Cl)ncc2ccncc12>>Cc1c(C=CCCCc2c(Cl)ncc3ccncc23)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het6Het6.AlkeneTerminal
 heck	4581	Cc1c(Cl)ncc2ccccc12.C=CCCCc1c(Cl)ncc2ccccc12>>Cc1c(C=CCCCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Chloride_Het6Phe.AlkeneTerminal
-heck	4582	Cc1cocc1I.C=CCCCc1cocc1I>>Cc1cocc1C=CCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het5.AlkeneTerminal
+heck	4582	Cc1cocc1I.C=CCCCc1cocc1I>>Cc1cocc1C=CCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het5.AlkeneTerminal
 heck	4583	Cc1c(I)oc2cocc12.C=CCCCc1c(I)oc2cocc12>>Cc1c(C=CCCCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het5Het5.AlkeneTerminal
 heck	4584	Cc1c(I)oc2ccncc12.C=CCCCc1c(I)oc2ccncc12>>Cc1c(C=CCCCc2c(I)oc3ccncc23)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het5Het6.AlkeneTerminal
 heck	4585	Cc1c(I)oc2ccccc12.C=CCCCc1c(I)oc2ccccc12>>Cc1c(C=CCCCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het5Phe.AlkeneTerminal
-heck	4586	Cc1cnccc1I.C=CCCCc1cnccc1I>>Cc1cnccc1C=CCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het6.AlkeneTerminal
+heck	4586	Cc1cnccc1I.C=CCCCc1cnccc1I>>Cc1cnccc1C=CCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het6.AlkeneTerminal
 heck	4587	Cc1nc2cocc2cc1I.C=CCCCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1C=CCCCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het6Het5.AlkeneTerminal
 heck	4588	Cc1c(I)ncc2ccncc12.C=CCCCc1c(I)ncc2ccncc12>>Cc1c(C=CCCCc2c(I)ncc3ccncc23)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het6Het6.AlkeneTerminal
 heck	4589	Cc1c(I)ncc2ccccc12.C=CCCCc1c(I)ncc2ccccc12>>Cc1c(C=CCCCc2c(I)ncc3ccccc23)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_Het6Phe.AlkeneTerminal
 heck	4590	Cc1cc2cocc2cc1I.C=CCCCc1cc2cocc2cc1I>>Cc1cc2cocc2cc1C=CCCCc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_PheHet5.AlkeneTerminal
 heck	4591	CCc1c(I)ccc2ccncc12.C=CCCCCc1c(I)ccc2ccncc12>>CCc1c(C=CCCCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Iodide_PheHet6.AlkeneTerminal
-heck	4592	Cc1cocc1OS(=O)(=O)C(F)(F)F.C=CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1C=CCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het5.AlkeneTerminal
+heck	4592	Cc1cocc1OS(=O)(=O)C(F)(F)F.C=CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1C=CCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het5.AlkeneTerminal
 heck	4593	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.C=CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1c(C=CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het5Het5.AlkeneTerminal
 heck	4594	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.C=CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>Cc1c(C=CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het5Het6.AlkeneTerminal
 heck	4595	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.C=CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1c(C=CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het5Phe.AlkeneTerminal
-heck	4596	Cc1cnccc1OS(=O)(=O)C(F)(F)F.C=CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1C=CCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het6.AlkeneTerminal
+heck	4596	Cc1cnccc1OS(=O)(=O)C(F)(F)F.C=CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1C=CCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het6.AlkeneTerminal
 heck	4597	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.C=CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1nc2cocc2cc1C=CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het6Het5.AlkeneTerminal
 heck	4598	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.C=CCCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>Cc1c(C=CCCCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het6Het6.AlkeneTerminal
 heck	4599	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.C=CCCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12>>Cc1c(C=CCCCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[a:2]C=[#6:4]	X-Triflate_Het6Phe.AlkeneTerminal
@@ -4616,13 +4616,13 @@ imidazole_condensation_amine	4614	CCC=O.NC=CNCCCCC=O>>CCc1nccn1CCCCC=O	[C;$([C;H
 imidazole_condensation_amine	4615	CCC=O.Nc1ccccc1Nc1ccc(CCCC=O)cc1>>CCc1nc2ccccc2n1c1ccc(CCCC=O)cc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_amine	4616	CCC=O.O=CCCCNCCNc1ccccc1>>CCc1n(CCCC=O)ccn1c1ccccc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_amine	4617	CCC=O.O=CCCCNC=CNc1ccccc1>>CCc1n(CCCC=O)ccn1c1ccccc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_amine	4618	CCC=O.Nc1cccc(CCCC=O)c1N>>CCc1nc2cccc(CCCC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_Primary_Phe
+imidazole_condensation_amine	4618	CCC=O.Nc1cccc(CCCC=O)c1N>>CCc1nc2cccc(CCCC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_Primary_Phe
 imidazole_condensation_amine	4619	CCC=O.CC(CCC=O)c1ccc(Nc2ccncc2N)cc1>>CCc1nc2cnccc2n1c1ccc(C(C)CCC=O)cc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_amine	4620	CCC=O.Nc1cnccc1Nc1cncc(CCCC=O)c1>>CCc1nc2cnccc2n1c1cncc(CCCC=O)c1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_amine	4621	CCC=O.O=CCCCNCCNc1ccncc1>>CCc1n(CCCC=O)ccn1c1ccncc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_amine	4622	CCC=O.O=CCCCNC=CNc1ccncc1>>CCc1n(CCCC=O)ccn1c1ccncc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_amine	4623	CCC=O.Nc1occ(CCCC=O)c1N>>CCc1nc2occ(CCCC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5
-imidazole_condensation_amine	4624	CCC=O.Nc1nccc(CCCC=O)c1N>>CCc1nc2nccc(CCCC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6
+imidazole_condensation_amine	4623	CCC=O.Nc1occ(CCCC=O)c1N>>CCc1nc2occ(CCCC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5
+imidazole_condensation_amine	4624	CCC=O.Nc1nccc(CCCC=O)c1N>>CCc1nc2nccc(CCCC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6
 imidazole_condensation_amine	4625	CCC=CC=O.NCCNCCCCCC=CC=O>>CCC=Cc1nccn1CCCCCC=CC=O	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 imidazole_condensation_amine	4626	CCC=CC=O.CNC=CNCCCCCC=CC=O>>CCC=Cc1n(C)ccn1CCCCCC=CC=O	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 imidazole_condensation_amine	4627	CCC=CC=O.CNC=CNC=CCCCC=CC=O>>CCC=Cc1n(C)ccn1C=CCCCC=CC=O	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -4631,13 +4631,13 @@ imidazole_condensation_amine	4629	CCC=CC=O.NC=CNCCCCC=CC=O>>CCC=Cc1nccn1CCCCC=CC
 imidazole_condensation_amine	4630	CCC=CC=O.Nc1ccccc1Nc1ccc(CCCC=CC=O)cc1>>CCC=Cc1nc2ccccc2n1c1ccc(CCCC=CC=O)cc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_amine	4631	CCC=CC=O.O=CC=CCCCNCCNc1ccccc1>>CCC=Cc1n(CCCC=CC=O)ccn1c1ccccc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_amine	4632	CCC=CC=O.O=CC=CCCCNC=CNc1ccccc1>>CCC=Cc1n(CCCC=CC=O)ccn1c1ccccc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_amine	4633	CCC=CC=O.Nc1cccc(CCCC=CC=O)c1N>>CCC=Cc1nc2cccc(CCCC=CC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Phe
+imidazole_condensation_amine	4633	CCC=CC=O.Nc1cccc(CCCC=CC=O)c1N>>CCC=Cc1nc2cccc(CCCC=CC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Phe
 imidazole_condensation_amine	4634	CCC=CC=O.CC(CCC=CC=O)c1ccc(Nc2ccncc2N)cc1>>CCC=Cc1nc2cnccc2n1c1ccc(C(C)CCC=CC=O)cc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_amine	4635	CCC=CC=O.Nc1cnccc1Nc1cncc(CCCC=CC=O)c1>>CCC=Cc1nc2cnccc2n1c1cncc(CCCC=CC=O)c1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_amine	4636	CCC=CC=O.O=CC=CCCCNCCNc1ccncc1>>CCC=Cc1n(CCCC=CC=O)ccn1c1ccncc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_amine	4637	CCC=CC=O.O=CC=CCCCNC=CNc1ccncc1>>CCC=Cc1n(CCCC=CC=O)ccn1c1ccncc1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_amine	4638	CCC=CC=O.Nc1occ(CCCC=CC=O)c1N>>CCC=Cc1nc2occ(CCCC=CC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5
-imidazole_condensation_amine	4639	CCC=CC=O.Nc1nccc(CCCC=CC=O)c1N>>CCC=Cc1nc2nccc(CCCC=CC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6
+imidazole_condensation_amine	4638	CCC=CC=O.Nc1occ(CCCC=CC=O)c1N>>CCC=Cc1nc2occ(CCCC=CC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5
+imidazole_condensation_amine	4639	CCC=CC=O.Nc1nccc(CCCC=CC=O)c1N>>CCC=Cc1nc2nccc(CCCC=CC=O)c2n1	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6
 imidazole_condensation_amine	4640	Cc1ccccc1C=O.NCCNCCCCc1ccccc1C=O>>Cc1ccccc1c1nccn1CCCCc1ccccc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 imidazole_condensation_amine	4641	Cc1ccccc1C=O.CNC=CNCCCCc1ccccc1C=O>>Cc1ccccc1c1n(C)ccn1CCCCc1ccccc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 imidazole_condensation_amine	4642	Cc1ccccc1C=O.CNC=CNC=CCCc1ccccc1C=O>>Cc1ccccc1c1n(C)ccn1C=CCCc1ccccc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -4646,13 +4646,13 @@ imidazole_condensation_amine	4644	Cc1ccccc1C=O.NC=CNCCCc1ccccc1C=O>>Cc1ccccc1c1n
 imidazole_condensation_amine	4645	Cc1ccccc1C=O.Nc1ccccc1Nc1ccc(CCc2ccccc2C=O)cc1>>Cc1ccccc1c1nc2ccccc2n1c1ccc(CCc2ccccc2C=O)cc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_amine	4646	Cc1ccccc1C=O.O=Cc1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1c1n(CCc2ccccc2C=O)ccn1c1ccccc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_amine	4647	Cc1ccccc1C=O.O=Cc1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1c1n(CCc2ccccc2C=O)ccn1c1ccccc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_amine	4648	Cc1ccccc1C=O.Nc1cccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1c1nc2cccc(CCc3ccccc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_Primary_Phe
+imidazole_condensation_amine	4648	Cc1ccccc1C=O.Nc1cccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1c1nc2cccc(CCc3ccccc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_Primary_Phe
 imidazole_condensation_amine	4649	Cc1ccccc1C=O.CC(Cc1ccccc1C=O)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1c1nc2cnccc2n1c1ccc(C(C)Cc2ccccc2C=O)cc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_amine	4650	Cc1ccccc1C=O.Nc1cnccc1Nc1cncc(CCc2ccccc2C=O)c1>>Cc1ccccc1c1nc2cnccc2n1c1cncc(CCc2ccccc2C=O)c1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_amine	4651	Cc1ccccc1C=O.O=Cc1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1c1n(CCc2ccccc2C=O)ccn1c1ccncc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_amine	4652	Cc1ccccc1C=O.O=Cc1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1c1n(CCc2ccccc2C=O)ccn1c1ccncc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_amine	4653	Cc1ccccc1C=O.Nc1occ(CCc2ccccc2C=O)c1N>>Cc1ccccc1c1nc2occ(CCc3ccccc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_Primary_Het5
-imidazole_condensation_amine	4654	Cc1ccccc1C=O.Nc1nccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1c1nc2nccc(CCc3ccccc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_Primary_Het6
+imidazole_condensation_amine	4653	Cc1ccccc1C=O.Nc1occ(CCc2ccccc2C=O)c1N>>Cc1ccccc1c1nc2occ(CCc3ccccc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_Primary_Het5
+imidazole_condensation_amine	4654	Cc1ccccc1C=O.Nc1nccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1c1nc2nccc(CCc3ccccc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Aromatic.Amine_Primary_Het6
 imidazole_condensation_amine	4655	Cc1ccncc1C=O.NCCNCCCCc1ccncc1C=O>>Cc1ccncc1c1nccn1CCCCc1ccncc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 imidazole_condensation_amine	4656	Cc1ccncc1C=O.CNC=CNCCCCc1ccncc1C=O>>Cc1ccncc1c1n(C)ccn1CCCCc1ccncc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 imidazole_condensation_amine	4657	Cc1ccncc1C=O.CNC=CNC=CCCc1ccncc1C=O>>Cc1ccncc1c1n(C)ccn1C=CCCc1ccncc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -4661,79 +4661,79 @@ imidazole_condensation_amine	4659	Cc1ccncc1C=O.NC=CNCCCc1ccncc1C=O>>Cc1ccncc1c1n
 imidazole_condensation_amine	4660	Cc1ccncc1C=O.Nc1ccccc1Nc1ccc(CCc2ccncc2C=O)cc1>>Cc1ccncc1c1nc2ccccc2n1c1ccc(CCc2ccncc2C=O)cc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_amine	4661	Cc1ccncc1C=O.O=Cc1cnccc1CCNCCNc1ccccc1>>Cc1ccncc1c1n(CCc2ccncc2C=O)ccn1c1ccccc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_amine	4662	Cc1ccncc1C=O.O=Cc1cnccc1CCNC=CNc1ccccc1>>Cc1ccncc1c1n(CCc2ccncc2C=O)ccn1c1ccccc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_amine	4663	Cc1ccncc1C=O.Nc1cccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1c1nc2cccc(CCc3ccncc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_Primary_Phe
+imidazole_condensation_amine	4663	Cc1ccncc1C=O.Nc1cccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1c1nc2cccc(CCc3ccncc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_Primary_Phe
 imidazole_condensation_amine	4664	Cc1ccncc1C=O.CC(Cc1ccncc1C=O)c1ccc(Nc2ccncc2N)cc1>>Cc1ccncc1c1nc2cnccc2n1c1ccc(C(C)Cc2ccncc2C=O)cc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_amine	4665	Cc1ccncc1C=O.Nc1cnccc1Nc1cncc(CCc2ccncc2C=O)c1>>Cc1ccncc1c1nc2cnccc2n1c1cncc(CCc2ccncc2C=O)c1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_amine	4666	Cc1ccncc1C=O.O=Cc1cnccc1CCNCCNc1ccncc1>>Cc1ccncc1c1n(CCc2ccncc2C=O)ccn1c1ccncc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_amine	4667	Cc1ccncc1C=O.O=Cc1cnccc1CCNC=CNc1ccncc1>>Cc1ccncc1c1n(CCc2ccncc2C=O)ccn1c1ccncc1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_amine	4668	Cc1ccncc1C=O.Nc1occ(CCc2ccncc2C=O)c1N>>Cc1ccncc1c1nc2occ(CCc3ccncc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_Primary_Het5
-imidazole_condensation_amine	4669	Cc1ccncc1C=O.Nc1nccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1c1nc2nccc(CCc3ccncc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_Primary_Het6
-negishi	4670	Cc1ccccc1Br.[Zn]Cc1ccccc1Br>>Cc1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Phe.Metals
+imidazole_condensation_amine	4668	Cc1ccncc1C=O.Nc1occ(CCc2ccncc2C=O)c1N>>Cc1ccncc1c1nc2occ(CCc3ccncc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_Primary_Het5
+imidazole_condensation_amine	4669	Cc1ccncc1C=O.Nc1nccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1c1nc2nccc(CCc3ccncc3C=O)c2n1	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Aldehyde_Heteroaromatic.Amine_Primary_Het6
+negishi	4670	Cc1ccccc1Br.[Zn]Cc1ccccc1Br>>Cc1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Phe.Metals
 negishi	4671	Cc1c(Br)ccc2ccccc12.[Zn]Cc1c(Br)ccc2ccccc12>>Cc1c(Cc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_PhePhe.Metals
-negishi	4672	Cc1ccccc1I.[Zn]Cc1ccccc1I>>Cc1ccccc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Phe.Metals
+negishi	4672	Cc1ccccc1I.[Zn]Cc1ccccc1I>>Cc1ccccc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Phe.Metals
 negishi	4673	Cc1c(I)ccc2ccccc12.[Zn]Cc1c(I)ccc2ccccc12>>Cc1c(Cc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_PhePhe.Metals
-negishi	4674	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(C[Zn])c1)C(F)(F)F>>Cc1cccc(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Phe.Metals
+negishi	4674	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(C[Zn])c1)C(F)(F)F>>Cc1cccc(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Phe.Metals
 negishi	4675	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_PhePhe.Metals
-negishi	4676	Cc1cocc1Br.[Zn]Cc1cocc1Br>>Cc1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het5.Metals
+negishi	4676	Cc1cocc1Br.[Zn]Cc1cocc1Br>>Cc1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het5.Metals
 negishi	4677	Cc1c(Br)oc2cocc12.[Zn]Cc1c(Br)oc2cocc12>>Cc1c(Cc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het5Het5.Metals
 negishi	4678	Cc1c(Br)oc2ccncc12.[Zn]Cc1c(Br)oc2ccncc12>>Cc1c(Cc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het5Het6.Metals
 negishi	4679	Cc1c(Br)oc2ccccc12.[Zn]Cc1c(Br)oc2ccccc12>>Cc1c(Cc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het5Phe.Metals
-negishi	4680	Cc1cnccc1Br.[Zn]Cc1cnccc1Br>>Cc1cnccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het6.Metals
+negishi	4680	Cc1cnccc1Br.[Zn]Cc1cnccc1Br>>Cc1cnccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het6.Metals
 negishi	4681	Cc1nc2cocc2cc1Br.[Zn]Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het6Het5.Metals
 negishi	4682	Cc1c(Br)ncc2ccncc12.[Zn]Cc1c(Br)ncc2ccncc12>>Cc1c(Cc2c(Br)ncc3ccncc23)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het6Het6.Metals
 negishi	4683	Cc1c(Br)ncc2ccccc12.[Zn]Cc1c(Br)ncc2ccccc12>>Cc1c(Cc2c(Br)ncc3ccccc23)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_Het6Phe.Metals
 negishi	4684	Cc1cc2cocc2cc1Br.[Zn]Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_PheHet5.Metals
 negishi	4685	CCc1c(Br)ccc2ccncc12.[Zn]CCc1c(Br)ccc2ccncc12>>CCc1c(CCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Bromide_PheHet6.Metals
-negishi	4686	Cc1cocc1Cl.Clc1cocc1C[Zn]>>Cc1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het5.Metals
+negishi	4686	Cc1cocc1Cl.Clc1cocc1C[Zn]>>Cc1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het5.Metals
 negishi	4687	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1C[Zn]>>Cc1c(Cc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het5Het5.Metals
 negishi	4688	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1C[Zn]>>Cc1c(Cc2c(Cl)oc3ccncc23)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het5Het6.Metals
 negishi	4689	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1C[Zn]>>Cc1c(Cc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het5Phe.Metals
-negishi	4690	Cc1cnccc1Cl.Clc1ccncc1C[Zn]>>Cc1cnccc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het6.Metals
+negishi	4690	Cc1cnccc1Cl.Clc1ccncc1C[Zn]>>Cc1cnccc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het6.Metals
 negishi	4691	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1C[Zn]>>Cc1nc2cocc2cc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het6Het5.Metals
 negishi	4692	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1C[Zn]>>Cc1c(Cc2c(Cl)ncc3ccncc23)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het6Het6.Metals
 negishi	4693	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1C[Zn]>>Cc1c(Cc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Chloride_Het6Phe.Metals
-negishi	4694	Cc1cocc1I.[Zn]Cc1cocc1I>>Cc1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het5.Metals
+negishi	4694	Cc1cocc1I.[Zn]Cc1cocc1I>>Cc1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het5.Metals
 negishi	4695	Cc1c(I)oc2cocc12.[Zn]Cc1c(I)oc2cocc12>>Cc1c(Cc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het5Het5.Metals
 negishi	4696	Cc1c(I)oc2ccncc12.[Zn]Cc1c(I)oc2ccncc12>>Cc1c(Cc2c(I)oc3ccncc23)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het5Het6.Metals
 negishi	4697	Cc1c(I)oc2ccccc12.[Zn]Cc1c(I)oc2ccccc12>>Cc1c(Cc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het5Phe.Metals
-negishi	4698	Cc1cnccc1I.[Zn]Cc1cnccc1I>>Cc1cnccc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het6.Metals
+negishi	4698	Cc1cnccc1I.[Zn]Cc1cnccc1I>>Cc1cnccc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het6.Metals
 negishi	4699	Cc1nc2cocc2cc1I.[Zn]Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het6Het5.Metals
 negishi	4700	Cc1c(I)ncc2ccncc12.[Zn]Cc1c(I)ncc2ccncc12>>Cc1c(Cc2c(I)ncc3ccncc23)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het6Het6.Metals
 negishi	4701	Cc1c(I)ncc2ccccc12.[Zn]Cc1c(I)ncc2ccccc12>>Cc1c(Cc2c(I)ncc3ccccc23)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_Het6Phe.Metals
 negishi	4702	Cc1cc2cocc2cc1I.[Zn]Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_PheHet5.Metals
 negishi	4703	CCc1c(I)ccc2ccncc12.[Zn]CCc1c(I)ccc2ccncc12>>CCc1c(CCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Iodide_PheHet6.Metals
-negishi	4704	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1C[Zn])C(F)(F)F>>Cc1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het5.Metals
+negishi	4704	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1C[Zn])C(F)(F)F>>Cc1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het5.Metals
 negishi	4705	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het5Het5.Metals
 negishi	4706	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het5Het6.Metals
 negishi	4707	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het5Phe.Metals
-negishi	4708	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1C[Zn])C(F)(F)F>>Cc1cnccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het6.Metals
+negishi	4708	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1C[Zn])C(F)(F)F>>Cc1cnccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het6.Metals
 negishi	4709	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1C[Zn])C(F)(F)F>>Cc1nc2cocc2cc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het6Het5.Metals
 negishi	4710	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het6Het6.Metals
 negishi	4711	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_Het6Phe.Metals
 negishi	4712	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1C[Zn])C(F)(F)F>>Cc1cc2cocc2cc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_PheHet5.Metals
 negishi	4713	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1C[Zn])C(F)(F)F>>Cc1c(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Zn:3][*:4]>>[a:2][*:4]	X-Triflate_PheHet6.Metals
-sonogashira	4714	Cc1ccccc1Br.C#Cc1ccccc1CCc1ccccc1Br>>Cc1ccccc1C#Cc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Phe.AlkyneTerminalAromatic
-sonogashira	4715	Cc1ccccc1Br.C#CCCCc1ccccc1Br>>Cc1ccccc1C#CCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Phe.AlkyneTerminalAliphatic
+sonogashira	4714	Cc1ccccc1Br.C#Cc1ccccc1CCc1ccccc1Br>>Cc1ccccc1C#Cc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Phe.AlkyneTerminalAromatic
+sonogashira	4715	Cc1ccccc1Br.C#CCCCc1ccccc1Br>>Cc1ccccc1C#CCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Phe.AlkyneTerminalAliphatic
 sonogashira	4716	Cc1c(Br)ccc2ccccc12.C#Cc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_PhePhe.AlkyneTerminalAromatic
 sonogashira	4717	Cc1c(Br)ccc2ccccc12.C#CCCCc1c(Br)ccc2ccccc12>>Cc1c(C#CCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_PhePhe.AlkyneTerminalAliphatic
-sonogashira	4718	Cc1ccccc1I.C#Cc1ccccc1CCc1ccccc1I>>Cc1ccccc1C#Cc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Phe.AlkyneTerminalAromatic
-sonogashira	4719	Cc1ccccc1I.C#CCCCc1ccccc1I>>Cc1ccccc1C#CCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Phe.AlkyneTerminalAliphatic
+sonogashira	4718	Cc1ccccc1I.C#Cc1ccccc1CCc1ccccc1I>>Cc1ccccc1C#Cc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Phe.AlkyneTerminalAromatic
+sonogashira	4719	Cc1ccccc1I.C#CCCCc1ccccc1I>>Cc1ccccc1C#CCCCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Phe.AlkyneTerminalAliphatic
 sonogashira	4720	Cc1c(I)ccc2ccccc12.C#Cc1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_PhePhe.AlkyneTerminalAromatic
 sonogashira	4721	Cc1c(I)ccc2ccccc12.C#CCCCc1c(I)ccc2ccccc12>>Cc1c(C#CCCCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_PhePhe.AlkyneTerminalAliphatic
-sonogashira	4722	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.C#Cc1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(C#Cc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Phe.AlkyneTerminalAromatic
-sonogashira	4723	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.C#CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(C#CCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Phe.AlkyneTerminalAliphatic
+sonogashira	4722	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.C#Cc1ccccc1CCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(C#Cc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Phe.AlkyneTerminalAromatic
+sonogashira	4723	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.C#CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cccc(C#CCCCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Phe.AlkyneTerminalAliphatic
 sonogashira	4724	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.C#Cc1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_PhePhe.AlkyneTerminalAromatic
 sonogashira	4725	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.C#CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1c(C#CCCCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_PhePhe.AlkyneTerminalAliphatic
-sonogashira	4726	Cc1cocc1Br.C#Cc1ccccc1CCc1cocc1Br>>Cc1cocc1C#Cc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het5.AlkyneTerminalAromatic
-sonogashira	4727	Cc1cocc1Br.C#CCCCc1cocc1Br>>Cc1cocc1C#CCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het5.AlkyneTerminalAliphatic
+sonogashira	4726	Cc1cocc1Br.C#Cc1ccccc1CCc1cocc1Br>>Cc1cocc1C#Cc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het5.AlkyneTerminalAromatic
+sonogashira	4727	Cc1cocc1Br.C#CCCCc1cocc1Br>>Cc1cocc1C#CCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het5.AlkyneTerminalAliphatic
 sonogashira	4728	Cc1c(Br)oc2cocc12.C#Cc1ccccc1CCc1c(Br)oc2cocc12>>Cc1c(C#Cc2ccccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het5Het5.AlkyneTerminalAromatic
 sonogashira	4729	Cc1c(Br)oc2cocc12.C#CCCCc1c(Br)oc2cocc12>>Cc1c(C#CCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het5Het5.AlkyneTerminalAliphatic
 sonogashira	4730	Cc1c(Br)oc2ccncc12.C#Cc1ccccc1CCc1c(Br)oc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het5Het6.AlkyneTerminalAromatic
 sonogashira	4731	Cc1c(Br)oc2ccncc12.C#CCCCc1c(Br)oc2ccncc12>>Cc1c(C#CCCCc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het5Het6.AlkyneTerminalAliphatic
 sonogashira	4732	Cc1c(Br)oc2ccccc12.C#Cc1ccccc1CCc1c(Br)oc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het5Phe.AlkyneTerminalAromatic
 sonogashira	4733	Cc1c(Br)oc2ccccc12.C#CCCCc1c(Br)oc2ccccc12>>Cc1c(C#CCCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het5Phe.AlkyneTerminalAliphatic
-sonogashira	4734	Cc1cnccc1Br.C#Cc1ccccc1CCc1cnccc1Br>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het6.AlkyneTerminalAromatic
-sonogashira	4735	Cc1cnccc1Br.C#CCCCc1cnccc1Br>>Cc1cnccc1C#CCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het6.AlkyneTerminalAliphatic
+sonogashira	4734	Cc1cnccc1Br.C#Cc1ccccc1CCc1cnccc1Br>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het6.AlkyneTerminalAromatic
+sonogashira	4735	Cc1cnccc1Br.C#CCCCc1cnccc1Br>>Cc1cnccc1C#CCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het6.AlkyneTerminalAliphatic
 sonogashira	4736	Cc1nc2cocc2cc1Br.C#Cc1ccccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1C#Cc1ccccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het6Het5.AlkyneTerminalAromatic
 sonogashira	4737	Cc1nc2cocc2cc1Br.C#CCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1C#CCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_Het6Het5.AlkyneTerminalAliphatic
 sonogashira	4738	Cc1c(Br)ncc2ccncc12.C#Cc1ccccc1CCc1c(Br)ncc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(Br)ncc3ccncc23)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_Het6Het6.AlkyneTerminalAromatic
@@ -4744,32 +4744,32 @@ sonogashira	4742	Cc1cc2cocc2cc1Br.C#Cc1ccccc1CCc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1C#
 sonogashira	4743	Cc1cc2cocc2cc1Br.C#CCCCc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1C#CCCCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_PheHet5.AlkyneTerminalAliphatic
 sonogashira	4744	CCc1c(Br)ccc2ccncc12.C#Cc1ccccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(C#Cc2ccccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Bromide_PheHet6.AlkyneTerminalAromatic
 sonogashira	4745	CCc1c(Br)ccc2ccncc12.C#CCCCCc1c(Br)ccc2ccncc12>>CCc1c(C#CCCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Bromide_PheHet6.AlkyneTerminalAliphatic
-sonogashira	4746	Cc1cocc1Cl.C#Cc1ccccc1CCc1cocc1Cl>>Cc1cocc1C#Cc1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het5.AlkyneTerminalAromatic
-sonogashira	4747	Cc1cocc1Cl.C#CCCCc1cocc1Cl>>Cc1cocc1C#CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het5.AlkyneTerminalAliphatic
+sonogashira	4746	Cc1cocc1Cl.C#Cc1ccccc1CCc1cocc1Cl>>Cc1cocc1C#Cc1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het5.AlkyneTerminalAromatic
+sonogashira	4747	Cc1cocc1Cl.C#CCCCc1cocc1Cl>>Cc1cocc1C#CCCCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het5.AlkyneTerminalAliphatic
 sonogashira	4748	Cc1c(Cl)oc2cocc12.C#Cc1ccccc1CCc1c(Cl)oc2cocc12>>Cc1c(C#Cc2ccccc2CCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het5Het5.AlkyneTerminalAromatic
 sonogashira	4749	Cc1c(Cl)oc2cocc12.C#CCCCc1c(Cl)oc2cocc12>>Cc1c(C#CCCCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het5Het5.AlkyneTerminalAliphatic
 sonogashira	4750	Cc1c(Cl)oc2ccncc12.C#Cc1ccccc1CCc1c(Cl)oc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(Cl)oc3ccncc23)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het5Het6.AlkyneTerminalAromatic
 sonogashira	4751	Cc1c(Cl)oc2ccncc12.C#CCCCc1c(Cl)oc2ccncc12>>Cc1c(C#CCCCc2c(Cl)oc3ccncc23)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het5Het6.AlkyneTerminalAliphatic
 sonogashira	4752	Cc1c(Cl)oc2ccccc12.C#Cc1ccccc1CCc1c(Cl)oc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het5Phe.AlkyneTerminalAromatic
 sonogashira	4753	Cc1c(Cl)oc2ccccc12.C#CCCCc1c(Cl)oc2ccccc12>>Cc1c(C#CCCCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het5Phe.AlkyneTerminalAliphatic
-sonogashira	4754	Cc1cnccc1Cl.C#Cc1ccccc1CCc1cnccc1Cl>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het6.AlkyneTerminalAromatic
-sonogashira	4755	Cc1cnccc1Cl.C#CCCCc1cnccc1Cl>>Cc1cnccc1C#CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het6.AlkyneTerminalAliphatic
+sonogashira	4754	Cc1cnccc1Cl.C#Cc1ccccc1CCc1cnccc1Cl>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het6.AlkyneTerminalAromatic
+sonogashira	4755	Cc1cnccc1Cl.C#CCCCc1cnccc1Cl>>Cc1cnccc1C#CCCCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het6.AlkyneTerminalAliphatic
 sonogashira	4756	Cc1nc2cocc2cc1Cl.C#Cc1ccccc1CCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1C#Cc1ccccc1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het6Het5.AlkyneTerminalAromatic
 sonogashira	4757	Cc1nc2cocc2cc1Cl.C#CCCCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1C#CCCCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het6Het5.AlkyneTerminalAliphatic
 sonogashira	4758	Cc1c(Cl)ncc2ccncc12.C#Cc1ccccc1CCc1c(Cl)ncc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(Cl)ncc3ccncc23)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het6Het6.AlkyneTerminalAromatic
 sonogashira	4759	Cc1c(Cl)ncc2ccncc12.C#CCCCc1c(Cl)ncc2ccncc12>>Cc1c(C#CCCCc2c(Cl)ncc3ccncc23)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het6Het6.AlkyneTerminalAliphatic
 sonogashira	4760	Cc1c(Cl)ncc2ccccc12.C#Cc1ccccc1CCc1c(Cl)ncc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Chloride_Het6Phe.AlkyneTerminalAromatic
 sonogashira	4761	Cc1c(Cl)ncc2ccccc12.C#CCCCc1c(Cl)ncc2ccccc12>>Cc1c(C#CCCCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Chloride_Het6Phe.AlkyneTerminalAliphatic
-sonogashira	4762	Cc1cocc1I.C#Cc1ccccc1CCc1cocc1I>>Cc1cocc1C#Cc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het5.AlkyneTerminalAromatic
-sonogashira	4763	Cc1cocc1I.C#CCCCc1cocc1I>>Cc1cocc1C#CCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het5.AlkyneTerminalAliphatic
+sonogashira	4762	Cc1cocc1I.C#Cc1ccccc1CCc1cocc1I>>Cc1cocc1C#Cc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het5.AlkyneTerminalAromatic
+sonogashira	4763	Cc1cocc1I.C#CCCCc1cocc1I>>Cc1cocc1C#CCCCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het5.AlkyneTerminalAliphatic
 sonogashira	4764	Cc1c(I)oc2cocc12.C#Cc1ccccc1CCc1c(I)oc2cocc12>>Cc1c(C#Cc2ccccc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het5Het5.AlkyneTerminalAromatic
 sonogashira	4765	Cc1c(I)oc2cocc12.C#CCCCc1c(I)oc2cocc12>>Cc1c(C#CCCCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het5Het5.AlkyneTerminalAliphatic
 sonogashira	4766	Cc1c(I)oc2ccncc12.C#Cc1ccccc1CCc1c(I)oc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(I)oc3ccncc23)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het5Het6.AlkyneTerminalAromatic
 sonogashira	4767	Cc1c(I)oc2ccncc12.C#CCCCc1c(I)oc2ccncc12>>Cc1c(C#CCCCc2c(I)oc3ccncc23)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het5Het6.AlkyneTerminalAliphatic
 sonogashira	4768	Cc1c(I)oc2ccccc12.C#Cc1ccccc1CCc1c(I)oc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het5Phe.AlkyneTerminalAromatic
 sonogashira	4769	Cc1c(I)oc2ccccc12.C#CCCCc1c(I)oc2ccccc12>>Cc1c(C#CCCCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het5Phe.AlkyneTerminalAliphatic
-sonogashira	4770	Cc1cnccc1I.C#Cc1ccccc1CCc1cnccc1I>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het6.AlkyneTerminalAromatic
-sonogashira	4771	Cc1cnccc1I.C#CCCCc1cnccc1I>>Cc1cnccc1C#CCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het6.AlkyneTerminalAliphatic
+sonogashira	4770	Cc1cnccc1I.C#Cc1ccccc1CCc1cnccc1I>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het6.AlkyneTerminalAromatic
+sonogashira	4771	Cc1cnccc1I.C#CCCCc1cnccc1I>>Cc1cnccc1C#CCCCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het6.AlkyneTerminalAliphatic
 sonogashira	4772	Cc1nc2cocc2cc1I.C#Cc1ccccc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1C#Cc1ccccc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het6Het5.AlkyneTerminalAromatic
 sonogashira	4773	Cc1nc2cocc2cc1I.C#CCCCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1C#CCCCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_Het6Het5.AlkyneTerminalAliphatic
 sonogashira	4774	Cc1c(I)ncc2ccncc12.C#Cc1ccccc1CCc1c(I)ncc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(I)ncc3ccncc23)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_Het6Het6.AlkyneTerminalAromatic
@@ -4780,16 +4780,16 @@ sonogashira	4778	Cc1cc2cocc2cc1I.C#Cc1ccccc1CCc1cc2cocc2cc1I>>Cc1cc2cocc2cc1C#Cc
 sonogashira	4779	Cc1cc2cocc2cc1I.C#CCCCc1cc2cocc2cc1I>>Cc1cc2cocc2cc1C#CCCCc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_PheHet5.AlkyneTerminalAliphatic
 sonogashira	4780	CCc1c(I)ccc2ccncc12.C#Cc1ccccc1CCCc1c(I)ccc2ccncc12>>CCc1c(C#Cc2ccccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Iodide_PheHet6.AlkyneTerminalAromatic
 sonogashira	4781	CCc1c(I)ccc2ccncc12.C#CCCCCc1c(I)ccc2ccncc12>>CCc1c(C#CCCCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Iodide_PheHet6.AlkyneTerminalAliphatic
-sonogashira	4782	Cc1cocc1OS(=O)(=O)C(F)(F)F.C#Cc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1C#Cc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het5.AlkyneTerminalAromatic
-sonogashira	4783	Cc1cocc1OS(=O)(=O)C(F)(F)F.C#CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1C#CCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het5.AlkyneTerminalAliphatic
+sonogashira	4782	Cc1cocc1OS(=O)(=O)C(F)(F)F.C#Cc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1C#Cc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het5.AlkyneTerminalAromatic
+sonogashira	4783	Cc1cocc1OS(=O)(=O)C(F)(F)F.C#CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cocc1C#CCCCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het5.AlkyneTerminalAliphatic
 sonogashira	4784	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.C#Cc1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1c(C#Cc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het5Het5.AlkyneTerminalAromatic
 sonogashira	4785	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.C#CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1c(C#CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het5Het5.AlkyneTerminalAliphatic
 sonogashira	4786	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.C#Cc1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het5Het6.AlkyneTerminalAromatic
 sonogashira	4787	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.C#CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>Cc1c(C#CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het5Het6.AlkyneTerminalAliphatic
 sonogashira	4788	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.C#Cc1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1c(C#Cc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het5Phe.AlkyneTerminalAromatic
 sonogashira	4789	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.C#CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1c(C#CCCCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het5Phe.AlkyneTerminalAliphatic
-sonogashira	4790	Cc1cnccc1OS(=O)(=O)C(F)(F)F.C#Cc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het6.AlkyneTerminalAromatic
-sonogashira	4791	Cc1cnccc1OS(=O)(=O)C(F)(F)F.C#CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1C#CCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het6.AlkyneTerminalAliphatic
+sonogashira	4790	Cc1cnccc1OS(=O)(=O)C(F)(F)F.C#Cc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1C#Cc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het6.AlkyneTerminalAromatic
+sonogashira	4791	Cc1cnccc1OS(=O)(=O)C(F)(F)F.C#CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1C#CCCCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het6.AlkyneTerminalAliphatic
 sonogashira	4792	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.C#Cc1ccccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1nc2cocc2cc1C#Cc1ccccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het6Het5.AlkyneTerminalAromatic
 sonogashira	4793	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.C#CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1nc2cocc2cc1C#CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[a:2]C#C[A:4]	X-Triflate_Het6Het5.AlkyneTerminalAliphatic
 sonogashira	4794	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.C#Cc1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>Cc1c(C#Cc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[a:2]C#C[a:4]	X-Triflate_Het6Het6.AlkyneTerminalAromatic
@@ -4804,1937 +4804,1937 @@ sonogashira	4802	CCOS(C)(=O)=O.C#Cc1ccccc1CCCOS(C)(=O)=O>>CCC#Cc1ccccc1CCCOS(C)(
 sonogashira	4803	CCOS(C)(=O)=O.C#CCCCCOS(C)(=O)=O>>CCC#CCCCCOS(C)(=O)=O	[O;D2;$(O[S;D4](=O)(=O)[#6]);!$(O(S(=O)(=O))S(=O)(=O));!$(OS(=O)(=O)C(F)(F)F):1][*;!S:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[*;!S:2]C#C[A:4]	Mesylate.AlkyneTerminalAliphatic
 triazole_synthesis_1	4804	CCCN=[N+]=[N-].C#Cc1ccccc1CCCCN=[N+]=[N-]>>CCCn1nncc1c1ccccc1CCCCN=[N+]=[N]	[N;!R;$([N;+,-]=[N;+,-]=[N;+,-]),$(N=[N;+,-]=N):1][*:2].[C;$([C;D2]([a])#[C;D1]):3][a:4]>>[*:2]n1:n:n:c:c:1[a:4]	Azide.AlkyneTerminalAromatic
 triazole_synthesis_1	4805	CCCN=[N+]=[N-].C#CCCCCCN=[N+]=[N-]>>CCCn1nncc1CCCCCN=[N+]=[N]	[N;!R;$([N;+,-]=[N;+,-]=[N;+,-]),$(N=[N;+,-]=N):1][*:2].[C;$([C;D2]([A])#[C;D1]);!$(C[F,Cl,Br,I,$(OS(=O)(=O)C(F)(F)F)]):3][A:4]>>[*:2]n1:n:n:c:c:1[A:4]	Azide.AlkyneTerminalAliphatic
-ullmann_X	4806	Cc1ccccc1Br.Brc1ccccc1Cc1ccccc1Br>>Cc1ccccc1c1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Phe
-ullmann_X	4807	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PhePhe
-ullmann_X	4808	Cc1ccccc1Br.Brc1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Phe
-ullmann_X	4809	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_PhePhe
-ullmann_X	4810	Cc1ccccc1Br.O=S(=O)(Oc1cccc(Cc2ccccc2Br)c1)C(F)(F)F>>Cc1ccccc1c1cccc(Cc2ccccc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Phe
-ullmann_X	4811	Cc1ccccc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_PhePhe
-ullmann_X	4812	Cc1ccccc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5
-ullmann_X	4813	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het5
-ullmann_X	4814	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het6
-ullmann_X	4815	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Phe
-ullmann_X	4816	Cc1ccccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6
-ullmann_X	4817	Cc1ccccc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het5
-ullmann_X	4818	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het6
-ullmann_X	4819	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Phe
-ullmann_X	4820	Cc1ccccc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet5
-ullmann_X	4821	Cc1ccccc1Br.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet6
-ullmann_X	4822	Cc1ccccc1Br.Clc1cocc1Cc1ccccc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5
-ullmann_X	4823	Cc1ccccc1Br.Clc1oc2cocc2c1Cc1ccccc1Br>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5Het5
-ullmann_X	4824	Cc1ccccc1Br.Clc1oc2ccncc2c1Cc1ccccc1Br>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5Het6
-ullmann_X	4825	Cc1ccccc1Br.Clc1oc2ccccc2c1Cc1ccccc1Br>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5Phe
-ullmann_X	4826	Cc1ccccc1Br.Clc1ccncc1Cc1ccccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6
-ullmann_X	4827	Cc1ccccc1Br.Clc1cc2cocc2nc1Cc1ccccc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6Het5
-ullmann_X	4828	Cc1ccccc1Br.Clc1ncc2ccncc2c1Cc1ccccc1Br>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6Het6
-ullmann_X	4829	Cc1ccccc1Br.Clc1ncc2ccccc2c1Cc1ccccc1Br>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6Phe
-ullmann_X	4830	Cc1ccccc1Br.Brc1ccccc1Cc1cocc1I>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5
-ullmann_X	4831	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5Het5
-ullmann_X	4832	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5Het6
-ullmann_X	4833	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5Phe
-ullmann_X	4834	Cc1ccccc1Br.Brc1ccccc1Cc1cnccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6
-ullmann_X	4835	Cc1ccccc1Br.Brc1ccccc1Cc1nc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6Het5
-ullmann_X	4836	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6Het6
-ullmann_X	4837	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6Phe
-ullmann_X	4838	Cc1ccccc1Br.Brc1ccccc1Cc1cc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_PheHet5
-ullmann_X	4839	Cc1ccccc1Br.Brc1ccccc1CCc1c(I)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_PheHet6
-ullmann_X	4840	Cc1ccccc1Br.O=S(=O)(Oc1cocc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5
-ullmann_X	4841	Cc1ccccc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5Het5
-ullmann_X	4842	Cc1ccccc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5Het6
-ullmann_X	4843	Cc1ccccc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5Phe
-ullmann_X	4844	Cc1ccccc1Br.O=S(=O)(Oc1ccncc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6
-ullmann_X	4845	Cc1ccccc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6Het5
-ullmann_X	4846	Cc1ccccc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6Het6
-ullmann_X	4847	Cc1ccccc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6Phe
-ullmann_X	4848	Cc1ccccc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_PheHet5
-ullmann_X	4849	Cc1ccccc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_PheHet6
-ullmann_X	4850	Cc1c(Br)ccc2ccccc12.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Phe
+ullmann_X	4806	Cc1ccccc1Br.Brc1ccccc1Cc1ccccc1Br>>Cc1ccccc1c1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Phe
+ullmann_X	4807	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PhePhe
+ullmann_X	4808	Cc1ccccc1Br.Brc1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Phe
+ullmann_X	4809	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_PhePhe
+ullmann_X	4810	Cc1ccccc1Br.O=S(=O)(Oc1cccc(Cc2ccccc2Br)c1)C(F)(F)F>>Cc1ccccc1c1cccc(Cc2ccccc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Phe
+ullmann_X	4811	Cc1ccccc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_PhePhe
+ullmann_X	4812	Cc1ccccc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5
+ullmann_X	4813	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het5
+ullmann_X	4814	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het6
+ullmann_X	4815	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Phe
+ullmann_X	4816	Cc1ccccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6
+ullmann_X	4817	Cc1ccccc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het5
+ullmann_X	4818	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het6
+ullmann_X	4819	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Phe
+ullmann_X	4820	Cc1ccccc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet5
+ullmann_X	4821	Cc1ccccc1Br.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet6
+ullmann_X	4822	Cc1ccccc1Br.Clc1cocc1Cc1ccccc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5
+ullmann_X	4823	Cc1ccccc1Br.Clc1oc2cocc2c1Cc1ccccc1Br>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5Het5
+ullmann_X	4824	Cc1ccccc1Br.Clc1oc2ccncc2c1Cc1ccccc1Br>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5Het6
+ullmann_X	4825	Cc1ccccc1Br.Clc1oc2ccccc2c1Cc1ccccc1Br>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het5Phe
+ullmann_X	4826	Cc1ccccc1Br.Clc1ccncc1Cc1ccccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6
+ullmann_X	4827	Cc1ccccc1Br.Clc1cc2cocc2nc1Cc1ccccc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6Het5
+ullmann_X	4828	Cc1ccccc1Br.Clc1ncc2ccncc2c1Cc1ccccc1Br>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6Het6
+ullmann_X	4829	Cc1ccccc1Br.Clc1ncc2ccccc2c1Cc1ccccc1Br>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Chloride_Het6Phe
+ullmann_X	4830	Cc1ccccc1Br.Brc1ccccc1Cc1cocc1I>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5
+ullmann_X	4831	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5Het5
+ullmann_X	4832	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5Het6
+ullmann_X	4833	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het5Phe
+ullmann_X	4834	Cc1ccccc1Br.Brc1ccccc1Cc1cnccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6
+ullmann_X	4835	Cc1ccccc1Br.Brc1ccccc1Cc1nc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6Het5
+ullmann_X	4836	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6Het6
+ullmann_X	4837	Cc1ccccc1Br.Brc1ccccc1Cc1c(I)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_Het6Phe
+ullmann_X	4838	Cc1ccccc1Br.Brc1ccccc1Cc1cc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_PheHet5
+ullmann_X	4839	Cc1ccccc1Br.Brc1ccccc1CCc1c(I)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Iodide_PheHet6
+ullmann_X	4840	Cc1ccccc1Br.O=S(=O)(Oc1cocc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5
+ullmann_X	4841	Cc1ccccc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5Het5
+ullmann_X	4842	Cc1ccccc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5Het6
+ullmann_X	4843	Cc1ccccc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het5Phe
+ullmann_X	4844	Cc1ccccc1Br.O=S(=O)(Oc1ccncc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6
+ullmann_X	4845	Cc1ccccc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6Het5
+ullmann_X	4846	Cc1ccccc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6Het6
+ullmann_X	4847	Cc1ccccc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_Het6Phe
+ullmann_X	4848	Cc1ccccc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_PheHet5
+ullmann_X	4849	Cc1ccccc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Triflate_PheHet6
+ullmann_X	4850	Cc1c(Br)ccc2ccccc12.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Phe
 ullmann_X	4851	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_PhePhe
-ullmann_X	4852	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Phe
+ullmann_X	4852	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Phe
 ullmann_X	4853	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_PhePhe
-ullmann_X	4854	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Br)ccc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2ccc1c1cccc(Cc2c(Br)ccc3ccccc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Phe
+ullmann_X	4854	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Br)ccc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2ccc1c1cccc(Cc2c(Br)ccc3ccccc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Phe
 ullmann_X	4855	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_PhePhe
-ullmann_X	4856	Cc1c(Br)ccc2ccccc12.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5
+ullmann_X	4856	Cc1c(Br)ccc2ccccc12.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5
 ullmann_X	4857	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5Het5
 ullmann_X	4858	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5Het6
 ullmann_X	4859	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5Phe
-ullmann_X	4860	Cc1c(Br)ccc2ccccc12.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6
+ullmann_X	4860	Cc1c(Br)ccc2ccccc12.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6
 ullmann_X	4861	Cc1c(Br)ccc2ccccc12.Brc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6Het5
 ullmann_X	4862	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6Het6
 ullmann_X	4863	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6Phe
 ullmann_X	4864	Cc1c(Br)ccc2ccccc12.Brc1cc2cocc2cc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_PheHet5
 ullmann_X	4865	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_PheHet6
-ullmann_X	4866	Cc1c(Br)ccc2ccccc12.Clc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het5
+ullmann_X	4866	Cc1c(Br)ccc2ccccc12.Clc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het5
 ullmann_X	4867	Cc1c(Br)ccc2ccccc12.Clc1oc2cocc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het5Het5
 ullmann_X	4868	Cc1c(Br)ccc2ccccc12.Clc1oc2ccncc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het5Het6
 ullmann_X	4869	Cc1c(Br)ccc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het5Phe
-ullmann_X	4870	Cc1c(Br)ccc2ccccc12.Clc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het6
+ullmann_X	4870	Cc1c(Br)ccc2ccccc12.Clc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het6
 ullmann_X	4871	Cc1c(Br)ccc2ccccc12.Clc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het6Het5
 ullmann_X	4872	Cc1c(Br)ccc2ccccc12.Clc1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het6Het6
 ullmann_X	4873	Cc1c(Br)ccc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Chloride_Het6Phe
-ullmann_X	4874	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het5
+ullmann_X	4874	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het5
 ullmann_X	4875	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het5Het5
 ullmann_X	4876	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het5Het6
 ullmann_X	4877	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het5Phe
-ullmann_X	4878	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het6
+ullmann_X	4878	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het6
 ullmann_X	4879	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het6Het5
 ullmann_X	4880	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het6Het6
 ullmann_X	4881	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_Het6Phe
 ullmann_X	4882	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_PheHet5
 ullmann_X	4883	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CCc1c(I)ccc2ccncc12>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Iodide_PheHet6
-ullmann_X	4884	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het5
+ullmann_X	4884	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het5
 ullmann_X	4885	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het5Het5
 ullmann_X	4886	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het5Het6
 ullmann_X	4887	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het5Phe
-ullmann_X	4888	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het6
+ullmann_X	4888	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het6
 ullmann_X	4889	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het6Het5
 ullmann_X	4890	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het6Het6
 ullmann_X	4891	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_Het6Phe
 ullmann_X	4892	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_PheHet5
 ullmann_X	4893	Cc1c(Br)ccc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Triflate_PheHet6
-ullmann_X	4894	Cc1ccccc1I.Brc1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Phe
-ullmann_X	4895	Cc1ccccc1I.Brc1ccc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_PhePhe
-ullmann_X	4896	Cc1ccccc1I.Ic1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Phe
-ullmann_X	4897	Cc1ccccc1I.Ic1ccccc1Cc1c(I)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_PhePhe
-ullmann_X	4898	Cc1ccccc1I.O=S(=O)(Oc1cccc(Cc2ccccc2I)c1)C(F)(F)F>>Cc1ccccc1c1cccc(Cc2ccccc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Phe
-ullmann_X	4899	Cc1ccccc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_PhePhe
-ullmann_X	4900	Cc1ccccc1I.Brc1cocc1Cc1ccccc1I>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5
-ullmann_X	4901	Cc1ccccc1I.Brc1oc2cocc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5Het5
-ullmann_X	4902	Cc1ccccc1I.Brc1oc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5Het6
-ullmann_X	4903	Cc1ccccc1I.Brc1oc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5Phe
-ullmann_X	4904	Cc1ccccc1I.Brc1ccncc1Cc1ccccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6
-ullmann_X	4905	Cc1ccccc1I.Brc1cc2cocc2nc1Cc1ccccc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6Het5
-ullmann_X	4906	Cc1ccccc1I.Brc1ncc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6Het6
-ullmann_X	4907	Cc1ccccc1I.Brc1ncc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6Phe
-ullmann_X	4908	Cc1ccccc1I.Brc1cc2cocc2cc1Cc1ccccc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_PheHet5
-ullmann_X	4909	Cc1ccccc1I.Brc1ccc2ccncc2c1CCc1ccccc1I>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_PheHet6
-ullmann_X	4910	Cc1ccccc1I.Clc1cocc1Cc1ccccc1I>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5
-ullmann_X	4911	Cc1ccccc1I.Clc1oc2cocc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5Het5
-ullmann_X	4912	Cc1ccccc1I.Clc1oc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5Het6
-ullmann_X	4913	Cc1ccccc1I.Clc1oc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5Phe
-ullmann_X	4914	Cc1ccccc1I.Clc1ccncc1Cc1ccccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6
-ullmann_X	4915	Cc1ccccc1I.Clc1cc2cocc2nc1Cc1ccccc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6Het5
-ullmann_X	4916	Cc1ccccc1I.Clc1ncc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6Het6
-ullmann_X	4917	Cc1ccccc1I.Clc1ncc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6Phe
-ullmann_X	4918	Cc1ccccc1I.Ic1ccccc1Cc1cocc1I>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5
-ullmann_X	4919	Cc1ccccc1I.Ic1ccccc1Cc1c(I)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5Het5
-ullmann_X	4920	Cc1ccccc1I.Ic1ccccc1Cc1c(I)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5Het6
-ullmann_X	4921	Cc1ccccc1I.Ic1ccccc1Cc1c(I)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5Phe
-ullmann_X	4922	Cc1ccccc1I.Ic1ccccc1Cc1cnccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6
-ullmann_X	4923	Cc1ccccc1I.Ic1ccccc1Cc1nc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6Het5
-ullmann_X	4924	Cc1ccccc1I.Ic1ccccc1Cc1c(I)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6Het6
-ullmann_X	4925	Cc1ccccc1I.Ic1ccccc1Cc1c(I)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6Phe
-ullmann_X	4926	Cc1ccccc1I.Ic1ccccc1Cc1cc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_PheHet5
-ullmann_X	4927	Cc1ccccc1I.Ic1ccccc1CCc1c(I)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_PheHet6
-ullmann_X	4928	Cc1ccccc1I.O=S(=O)(Oc1cocc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5
-ullmann_X	4929	Cc1ccccc1I.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5Het5
-ullmann_X	4930	Cc1ccccc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5Het6
-ullmann_X	4931	Cc1ccccc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5Phe
-ullmann_X	4932	Cc1ccccc1I.O=S(=O)(Oc1ccncc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6
-ullmann_X	4933	Cc1ccccc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6Het5
-ullmann_X	4934	Cc1ccccc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6Het6
-ullmann_X	4935	Cc1ccccc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6Phe
-ullmann_X	4936	Cc1ccccc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_PheHet5
-ullmann_X	4937	Cc1ccccc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_PheHet6
-ullmann_X	4938	Cc1c(I)ccc2ccccc12.Brc1ccccc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Phe
+ullmann_X	4894	Cc1ccccc1I.Brc1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Phe
+ullmann_X	4895	Cc1ccccc1I.Brc1ccc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_PhePhe
+ullmann_X	4896	Cc1ccccc1I.Ic1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Phe
+ullmann_X	4897	Cc1ccccc1I.Ic1ccccc1Cc1c(I)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_PhePhe
+ullmann_X	4898	Cc1ccccc1I.O=S(=O)(Oc1cccc(Cc2ccccc2I)c1)C(F)(F)F>>Cc1ccccc1c1cccc(Cc2ccccc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Phe
+ullmann_X	4899	Cc1ccccc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_PhePhe
+ullmann_X	4900	Cc1ccccc1I.Brc1cocc1Cc1ccccc1I>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5
+ullmann_X	4901	Cc1ccccc1I.Brc1oc2cocc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5Het5
+ullmann_X	4902	Cc1ccccc1I.Brc1oc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5Het6
+ullmann_X	4903	Cc1ccccc1I.Brc1oc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het5Phe
+ullmann_X	4904	Cc1ccccc1I.Brc1ccncc1Cc1ccccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6
+ullmann_X	4905	Cc1ccccc1I.Brc1cc2cocc2nc1Cc1ccccc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6Het5
+ullmann_X	4906	Cc1ccccc1I.Brc1ncc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6Het6
+ullmann_X	4907	Cc1ccccc1I.Brc1ncc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_Het6Phe
+ullmann_X	4908	Cc1ccccc1I.Brc1cc2cocc2cc1Cc1ccccc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_PheHet5
+ullmann_X	4909	Cc1ccccc1I.Brc1ccc2ccncc2c1CCc1ccccc1I>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Bromide_PheHet6
+ullmann_X	4910	Cc1ccccc1I.Clc1cocc1Cc1ccccc1I>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5
+ullmann_X	4911	Cc1ccccc1I.Clc1oc2cocc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5Het5
+ullmann_X	4912	Cc1ccccc1I.Clc1oc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5Het6
+ullmann_X	4913	Cc1ccccc1I.Clc1oc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het5Phe
+ullmann_X	4914	Cc1ccccc1I.Clc1ccncc1Cc1ccccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6
+ullmann_X	4915	Cc1ccccc1I.Clc1cc2cocc2nc1Cc1ccccc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6Het5
+ullmann_X	4916	Cc1ccccc1I.Clc1ncc2ccncc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6Het6
+ullmann_X	4917	Cc1ccccc1I.Clc1ncc2ccccc2c1Cc1ccccc1I>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Chloride_Het6Phe
+ullmann_X	4918	Cc1ccccc1I.Ic1ccccc1Cc1cocc1I>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5
+ullmann_X	4919	Cc1ccccc1I.Ic1ccccc1Cc1c(I)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5Het5
+ullmann_X	4920	Cc1ccccc1I.Ic1ccccc1Cc1c(I)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5Het6
+ullmann_X	4921	Cc1ccccc1I.Ic1ccccc1Cc1c(I)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het5Phe
+ullmann_X	4922	Cc1ccccc1I.Ic1ccccc1Cc1cnccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6
+ullmann_X	4923	Cc1ccccc1I.Ic1ccccc1Cc1nc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6Het5
+ullmann_X	4924	Cc1ccccc1I.Ic1ccccc1Cc1c(I)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6Het6
+ullmann_X	4925	Cc1ccccc1I.Ic1ccccc1Cc1c(I)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_Het6Phe
+ullmann_X	4926	Cc1ccccc1I.Ic1ccccc1Cc1cc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_PheHet5
+ullmann_X	4927	Cc1ccccc1I.Ic1ccccc1CCc1c(I)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Iodide_PheHet6
+ullmann_X	4928	Cc1ccccc1I.O=S(=O)(Oc1cocc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1cocc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5
+ullmann_X	4929	Cc1ccccc1I.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5Het5
+ullmann_X	4930	Cc1ccccc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5Het6
+ullmann_X	4931	Cc1ccccc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het5Phe
+ullmann_X	4932	Cc1ccccc1I.O=S(=O)(Oc1ccncc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1ccncc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6
+ullmann_X	4933	Cc1ccccc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6Het5
+ullmann_X	4934	Cc1ccccc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6Het6
+ullmann_X	4935	Cc1ccccc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_Het6Phe
+ullmann_X	4936	Cc1ccccc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_PheHet5
+ullmann_X	4937	Cc1ccccc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1ccccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Phe.X-Triflate_PheHet6
+ullmann_X	4938	Cc1c(I)ccc2ccccc12.Brc1ccccc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Phe
 ullmann_X	4939	Cc1c(I)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_PhePhe
-ullmann_X	4940	Cc1c(I)ccc2ccccc12.Ic1ccccc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Phe
+ullmann_X	4940	Cc1c(I)ccc2ccccc12.Ic1ccccc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Phe
 ullmann_X	4941	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_PhePhe
-ullmann_X	4942	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(I)ccc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2ccc1c1cccc(Cc2c(I)ccc3ccccc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Phe
+ullmann_X	4942	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(I)ccc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2ccc1c1cccc(Cc2c(I)ccc3ccccc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Phe
 ullmann_X	4943	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_PhePhe
-ullmann_X	4944	Cc1c(I)ccc2ccccc12.Brc1cocc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het5
+ullmann_X	4944	Cc1c(I)ccc2ccccc12.Brc1cocc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het5
 ullmann_X	4945	Cc1c(I)ccc2ccccc12.Brc1oc2cocc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het5Het5
 ullmann_X	4946	Cc1c(I)ccc2ccccc12.Brc1oc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het5Het6
 ullmann_X	4947	Cc1c(I)ccc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het5Phe
-ullmann_X	4948	Cc1c(I)ccc2ccccc12.Brc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het6
+ullmann_X	4948	Cc1c(I)ccc2ccccc12.Brc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het6
 ullmann_X	4949	Cc1c(I)ccc2ccccc12.Brc1cc2cocc2nc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het6Het5
 ullmann_X	4950	Cc1c(I)ccc2ccccc12.Brc1ncc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het6Het6
 ullmann_X	4951	Cc1c(I)ccc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_Het6Phe
 ullmann_X	4952	Cc1c(I)ccc2ccccc12.Brc1cc2cocc2cc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_PheHet5
 ullmann_X	4953	Cc1c(I)ccc2ccccc12.Brc1ccc2ccncc2c1CCc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Bromide_PheHet6
-ullmann_X	4954	Cc1c(I)ccc2ccccc12.Clc1cocc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het5
+ullmann_X	4954	Cc1c(I)ccc2ccccc12.Clc1cocc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het5
 ullmann_X	4955	Cc1c(I)ccc2ccccc12.Clc1oc2cocc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het5Het5
 ullmann_X	4956	Cc1c(I)ccc2ccccc12.Clc1oc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het5Het6
 ullmann_X	4957	Cc1c(I)ccc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het5Phe
-ullmann_X	4958	Cc1c(I)ccc2ccccc12.Clc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het6
+ullmann_X	4958	Cc1c(I)ccc2ccccc12.Clc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het6
 ullmann_X	4959	Cc1c(I)ccc2ccccc12.Clc1cc2cocc2nc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het6Het5
 ullmann_X	4960	Cc1c(I)ccc2ccccc12.Clc1ncc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het6Het6
 ullmann_X	4961	Cc1c(I)ccc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Chloride_Het6Phe
-ullmann_X	4962	Cc1c(I)ccc2ccccc12.Ic1cocc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het5
+ullmann_X	4962	Cc1c(I)ccc2ccccc12.Ic1cocc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het5
 ullmann_X	4963	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het5Het5
 ullmann_X	4964	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het5Het6
 ullmann_X	4965	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het5Phe
-ullmann_X	4966	Cc1c(I)ccc2ccccc12.Ic1ccncc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het6
+ullmann_X	4966	Cc1c(I)ccc2ccccc12.Ic1ccncc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het6
 ullmann_X	4967	Cc1c(I)ccc2ccccc12.Ic1cc2cocc2nc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het6Het5
 ullmann_X	4968	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het6Het6
 ullmann_X	4969	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_Het6Phe
 ullmann_X	4970	Cc1c(I)ccc2ccccc12.Ic1cc2cocc2cc1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_PheHet5
 ullmann_X	4971	Cc1c(I)ccc2ccccc12.Ic1ccc2ccccc2c1CCc1c(I)ccc2ccncc12>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Iodide_PheHet6
-ullmann_X	4972	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het5
+ullmann_X	4972	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het5
 ullmann_X	4973	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het5Het5
 ullmann_X	4974	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het5Het6
 ullmann_X	4975	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het5Phe
-ullmann_X	4976	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het6
+ullmann_X	4976	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het6
 ullmann_X	4977	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het6Het5
 ullmann_X	4978	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het6Het6
 ullmann_X	4979	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_Het6Phe
 ullmann_X	4980	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_PheHet5
 ullmann_X	4981	Cc1c(I)ccc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PhePhe.X-Triflate_PheHet6
-ullmann_X	4982	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccccc2Br)c1)C(F)(F)F>>Cc1cccc(c2ccccc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Phe
-ullmann_X	4983	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)ccc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_PhePhe
-ullmann_X	4984	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccccc2I)c1)C(F)(F)F>>Cc1cccc(c2ccccc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Phe
-ullmann_X	4985	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)ccc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_PhePhe
-ullmann_X	4986	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1)C(F)(F)F>>Cc1cccc(c2cccc(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Phe
-ullmann_X	4987	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_PhePhe
-ullmann_X	4988	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2Br)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5
-ullmann_X	4989	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5Het5
-ullmann_X	4990	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5Het6
-ullmann_X	4991	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5Phe
-ullmann_X	4992	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2Br)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6
-ullmann_X	4993	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Br)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6Het5
-ullmann_X	4994	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6Het6
-ullmann_X	4995	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6Phe
-ullmann_X	4996	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2Br)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3cc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_PheHet5
-ullmann_X	4997	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2c(Br)ccc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccncc3c2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_PheHet6
-ullmann_X	4998	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2Cl)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5
-ullmann_X	4999	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5Het5
-ullmann_X	5000	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5Het6
-ullmann_X	5001	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5Phe
-ullmann_X	5002	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2Cl)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6
-ullmann_X	5003	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Cl)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6Het5
-ullmann_X	5004	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6Het6
-ullmann_X	5005	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6Phe
-ullmann_X	5006	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2I)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5
-ullmann_X	5007	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5Het5
-ullmann_X	5008	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5Het6
-ullmann_X	5009	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5Phe
-ullmann_X	5010	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2I)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6
-ullmann_X	5011	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2I)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6Het5
-ullmann_X	5012	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6Het6
-ullmann_X	5013	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6Phe
-ullmann_X	5014	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2I)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3cc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_PheHet5
-ullmann_X	5015	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2c(I)ccc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccncc3c2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_PheHet6
-ullmann_X	5016	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5
-ullmann_X	5017	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5Het5
-ullmann_X	5018	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5Het6
-ullmann_X	5019	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5Phe
-ullmann_X	5020	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6
-ullmann_X	5021	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6Het5
-ullmann_X	5022	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6Het6
-ullmann_X	5023	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6Phe
-ullmann_X	5024	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3cc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_PheHet5
-ullmann_X	5025	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_PheHet6
-ullmann_X	5026	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Phe
+ullmann_X	4982	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccccc2Br)c1)C(F)(F)F>>Cc1cccc(c2ccccc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Phe
+ullmann_X	4983	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)ccc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_PhePhe
+ullmann_X	4984	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2ccccc2I)c1)C(F)(F)F>>Cc1cccc(c2ccccc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Phe
+ullmann_X	4985	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)ccc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_PhePhe
+ullmann_X	4986	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1)C(F)(F)F>>Cc1cccc(c2cccc(Cc3cccc(OS(=O)(=O)C(F)(F)F)c3)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Phe
+ullmann_X	4987	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_PhePhe
+ullmann_X	4988	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2Br)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5
+ullmann_X	4989	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5Het5
+ullmann_X	4990	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5Het6
+ullmann_X	4991	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het5Phe
+ullmann_X	4992	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2Br)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6
+ullmann_X	4993	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Br)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6Het5
+ullmann_X	4994	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6Het6
+ullmann_X	4995	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_Het6Phe
+ullmann_X	4996	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2Br)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3cc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_PheHet5
+ullmann_X	4997	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2c(Br)ccc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccncc3c2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Bromide_PheHet6
+ullmann_X	4998	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2Cl)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5
+ullmann_X	4999	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5Het5
+ullmann_X	5000	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5Het6
+ullmann_X	5001	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het5Phe
+ullmann_X	5002	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2Cl)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6
+ullmann_X	5003	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Cl)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6Het5
+ullmann_X	5004	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6Het6
+ullmann_X	5005	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Chloride_Het6Phe
+ullmann_X	5006	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2I)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5
+ullmann_X	5007	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5Het5
+ullmann_X	5008	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5Het6
+ullmann_X	5009	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het5Phe
+ullmann_X	5010	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2I)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6
+ullmann_X	5011	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2I)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6Het5
+ullmann_X	5012	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6Het6
+ullmann_X	5013	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_Het6Phe
+ullmann_X	5014	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2I)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3cc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_PheHet5
+ullmann_X	5015	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2c(I)ccc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccncc3c2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Iodide_PheHet6
+ullmann_X	5016	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cocc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2cocc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5
+ullmann_X	5017	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1)C(F)(F)F>>Cc1cccc(c2oc3cocc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5Het5
+ullmann_X	5018	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5Het6
+ullmann_X	5019	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2oc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het5Phe
+ullmann_X	5020	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cnccc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2ccncc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6
+ullmann_X	5021	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3nc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6Het5
+ullmann_X	5022	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6Het6
+ullmann_X	5023	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1)C(F)(F)F>>Cc1cccc(c2ncc3ccccc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_Het6Phe
+ullmann_X	5024	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2cc3cocc3cc2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_PheHet5
+ullmann_X	5025	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1)C(F)(F)F>>Cc1cccc(c2ccc3ccncc3c2Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Phe.X-Triflate_PheHet6
+ullmann_X	5026	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Phe
 ullmann_X	5027	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_PhePhe
-ullmann_X	5028	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Phe
+ullmann_X	5028	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Phe
 ullmann_X	5029	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_PhePhe
-ullmann_X	5030	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2ccc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Phe
+ullmann_X	5030	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2ccc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Phe
 ullmann_X	5031	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_PhePhe
-ullmann_X	5032	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het5
+ullmann_X	5032	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het5
 ullmann_X	5033	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het5Het5
 ullmann_X	5034	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het5Het6
 ullmann_X	5035	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het5Phe
-ullmann_X	5036	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het6
+ullmann_X	5036	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het6
 ullmann_X	5037	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het6Het5
 ullmann_X	5038	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het6Het6
 ullmann_X	5039	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_Het6Phe
 ullmann_X	5040	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_PheHet5
 ullmann_X	5041	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Bromide_PheHet6
-ullmann_X	5042	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het5
+ullmann_X	5042	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het5
 ullmann_X	5043	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het5Het5
 ullmann_X	5044	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het5Het6
 ullmann_X	5045	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het5Phe
-ullmann_X	5046	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het6
+ullmann_X	5046	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het6
 ullmann_X	5047	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het6Het5
 ullmann_X	5048	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het6Het6
 ullmann_X	5049	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Chloride_Het6Phe
-ullmann_X	5050	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het5
+ullmann_X	5050	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het5
 ullmann_X	5051	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het5Het5
 ullmann_X	5052	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het5Het6
 ullmann_X	5053	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het5Phe
-ullmann_X	5054	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het6
+ullmann_X	5054	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het6
 ullmann_X	5055	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het6Het5
 ullmann_X	5056	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het6Het6
 ullmann_X	5057	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_Het6Phe
 ullmann_X	5058	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_PheHet5
 ullmann_X	5059	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Iodide_PheHet6
-ullmann_X	5060	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het5
+ullmann_X	5060	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het5
 ullmann_X	5061	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het5Het5
 ullmann_X	5062	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het5Het6
 ullmann_X	5063	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het5Phe
-ullmann_X	5064	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het6
+ullmann_X	5064	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het6
 ullmann_X	5065	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het6Het5
 ullmann_X	5066	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het6Het6
 ullmann_X	5067	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_Het6Phe
 ullmann_X	5068	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_PheHet5
 ullmann_X	5069	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PhePhe.X-Triflate_PheHet6
-ullmann_X	5070	Cc1cocc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1cocc1c1ccccc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Phe
-ullmann_X	5071	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PhePhe
-ullmann_X	5072	Cc1cocc1Br.Brc1cocc1Cc1ccccc1I>>Cc1cocc1c1ccccc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Phe
-ullmann_X	5073	Cc1cocc1Br.Brc1cocc1Cc1c(I)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_PhePhe
-ullmann_X	5074	Cc1cocc1Br.O=S(=O)(Oc1cccc(Cc2cocc2Br)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Phe
-ullmann_X	5075	Cc1cocc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_PhePhe
-ullmann_X	5076	Cc1cocc1Br.Brc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5
-ullmann_X	5077	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het5
-ullmann_X	5078	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het6
-ullmann_X	5079	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Phe
-ullmann_X	5080	Cc1cocc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6
-ullmann_X	5081	Cc1cocc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het5
-ullmann_X	5082	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het6
-ullmann_X	5083	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Phe
-ullmann_X	5084	Cc1cocc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet5
-ullmann_X	5085	Cc1cocc1Br.Brc1cocc1CCc1c(Br)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet6
-ullmann_X	5086	Cc1cocc1Br.Clc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5
-ullmann_X	5087	Cc1cocc1Br.Clc1oc2cocc2c1Cc1cocc1Br>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5Het5
-ullmann_X	5088	Cc1cocc1Br.Clc1oc2ccncc2c1Cc1cocc1Br>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5Het6
-ullmann_X	5089	Cc1cocc1Br.Clc1oc2ccccc2c1Cc1cocc1Br>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5Phe
-ullmann_X	5090	Cc1cocc1Br.Clc1ccncc1Cc1cocc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6
-ullmann_X	5091	Cc1cocc1Br.Clc1cc2cocc2nc1Cc1cocc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6Het5
-ullmann_X	5092	Cc1cocc1Br.Clc1ncc2ccncc2c1Cc1cocc1Br>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6Het6
-ullmann_X	5093	Cc1cocc1Br.Clc1ncc2ccccc2c1Cc1cocc1Br>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6Phe
-ullmann_X	5094	Cc1cocc1Br.Brc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5
-ullmann_X	5095	Cc1cocc1Br.Brc1cocc1Cc1c(I)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5Het5
-ullmann_X	5096	Cc1cocc1Br.Brc1cocc1Cc1c(I)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5Het6
-ullmann_X	5097	Cc1cocc1Br.Brc1cocc1Cc1c(I)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5Phe
-ullmann_X	5098	Cc1cocc1Br.Brc1cocc1Cc1cnccc1I>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6
-ullmann_X	5099	Cc1cocc1Br.Brc1cocc1Cc1nc2cocc2cc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6Het5
-ullmann_X	5100	Cc1cocc1Br.Brc1cocc1Cc1c(I)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6Het6
-ullmann_X	5101	Cc1cocc1Br.Brc1cocc1Cc1c(I)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6Phe
-ullmann_X	5102	Cc1cocc1Br.Brc1cocc1Cc1cc2cocc2cc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_PheHet5
-ullmann_X	5103	Cc1cocc1Br.Brc1cocc1CCc1c(I)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_PheHet6
-ullmann_X	5104	Cc1cocc1Br.O=S(=O)(Oc1cocc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5
-ullmann_X	5105	Cc1cocc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5Het5
-ullmann_X	5106	Cc1cocc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5Het6
-ullmann_X	5107	Cc1cocc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5Phe
-ullmann_X	5108	Cc1cocc1Br.O=S(=O)(Oc1ccncc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6
-ullmann_X	5109	Cc1cocc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6Het5
-ullmann_X	5110	Cc1cocc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6Het6
-ullmann_X	5111	Cc1cocc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6Phe
-ullmann_X	5112	Cc1cocc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_PheHet5
-ullmann_X	5113	Cc1cocc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_PheHet6
-ullmann_X	5114	Cc1c(Br)oc2cocc12.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Phe
+ullmann_X	5070	Cc1cocc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1cocc1c1ccccc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Phe
+ullmann_X	5071	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PhePhe
+ullmann_X	5072	Cc1cocc1Br.Brc1cocc1Cc1ccccc1I>>Cc1cocc1c1ccccc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Phe
+ullmann_X	5073	Cc1cocc1Br.Brc1cocc1Cc1c(I)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_PhePhe
+ullmann_X	5074	Cc1cocc1Br.O=S(=O)(Oc1cccc(Cc2cocc2Br)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Phe
+ullmann_X	5075	Cc1cocc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_PhePhe
+ullmann_X	5076	Cc1cocc1Br.Brc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5
+ullmann_X	5077	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het5
+ullmann_X	5078	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het6
+ullmann_X	5079	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Phe
+ullmann_X	5080	Cc1cocc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6
+ullmann_X	5081	Cc1cocc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het5
+ullmann_X	5082	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het6
+ullmann_X	5083	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Phe
+ullmann_X	5084	Cc1cocc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet5
+ullmann_X	5085	Cc1cocc1Br.Brc1cocc1CCc1c(Br)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet6
+ullmann_X	5086	Cc1cocc1Br.Clc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5
+ullmann_X	5087	Cc1cocc1Br.Clc1oc2cocc2c1Cc1cocc1Br>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5Het5
+ullmann_X	5088	Cc1cocc1Br.Clc1oc2ccncc2c1Cc1cocc1Br>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5Het6
+ullmann_X	5089	Cc1cocc1Br.Clc1oc2ccccc2c1Cc1cocc1Br>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het5Phe
+ullmann_X	5090	Cc1cocc1Br.Clc1ccncc1Cc1cocc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6
+ullmann_X	5091	Cc1cocc1Br.Clc1cc2cocc2nc1Cc1cocc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6Het5
+ullmann_X	5092	Cc1cocc1Br.Clc1ncc2ccncc2c1Cc1cocc1Br>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6Het6
+ullmann_X	5093	Cc1cocc1Br.Clc1ncc2ccccc2c1Cc1cocc1Br>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Chloride_Het6Phe
+ullmann_X	5094	Cc1cocc1Br.Brc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5
+ullmann_X	5095	Cc1cocc1Br.Brc1cocc1Cc1c(I)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5Het5
+ullmann_X	5096	Cc1cocc1Br.Brc1cocc1Cc1c(I)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5Het6
+ullmann_X	5097	Cc1cocc1Br.Brc1cocc1Cc1c(I)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het5Phe
+ullmann_X	5098	Cc1cocc1Br.Brc1cocc1Cc1cnccc1I>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6
+ullmann_X	5099	Cc1cocc1Br.Brc1cocc1Cc1nc2cocc2cc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6Het5
+ullmann_X	5100	Cc1cocc1Br.Brc1cocc1Cc1c(I)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6Het6
+ullmann_X	5101	Cc1cocc1Br.Brc1cocc1Cc1c(I)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_Het6Phe
+ullmann_X	5102	Cc1cocc1Br.Brc1cocc1Cc1cc2cocc2cc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_PheHet5
+ullmann_X	5103	Cc1cocc1Br.Brc1cocc1CCc1c(I)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Iodide_PheHet6
+ullmann_X	5104	Cc1cocc1Br.O=S(=O)(Oc1cocc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5
+ullmann_X	5105	Cc1cocc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5Het5
+ullmann_X	5106	Cc1cocc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5Het6
+ullmann_X	5107	Cc1cocc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het5Phe
+ullmann_X	5108	Cc1cocc1Br.O=S(=O)(Oc1ccncc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6
+ullmann_X	5109	Cc1cocc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6Het5
+ullmann_X	5110	Cc1cocc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6Het6
+ullmann_X	5111	Cc1cocc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_Het6Phe
+ullmann_X	5112	Cc1cocc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_PheHet5
+ullmann_X	5113	Cc1cocc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Triflate_PheHet6
+ullmann_X	5114	Cc1c(Br)oc2cocc12.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Phe
 ullmann_X	5115	Cc1c(Br)oc2cocc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_PhePhe
-ullmann_X	5116	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1ccccc1I>>Cc1c2cocc2oc1c1ccccc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Phe
+ullmann_X	5116	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1ccccc1I>>Cc1c2cocc2oc1c1ccccc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Phe
 ullmann_X	5117	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)ccc2ccccc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_PhePhe
-ullmann_X	5118	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(Br)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(Br)oc3cocc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Phe
+ullmann_X	5118	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(Br)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(Br)oc3cocc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Phe
 ullmann_X	5119	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_PhePhe
-ullmann_X	5120	Cc1c(Br)oc2cocc12.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5
+ullmann_X	5120	Cc1c(Br)oc2cocc12.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5
 ullmann_X	5121	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5Het5
 ullmann_X	5122	Cc1c(Br)oc2cocc12.Brc1oc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5Het6
 ullmann_X	5123	Cc1c(Br)oc2cocc12.Brc1oc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5Phe
-ullmann_X	5124	Cc1c(Br)oc2cocc12.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6
+ullmann_X	5124	Cc1c(Br)oc2cocc12.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6
 ullmann_X	5125	Cc1c(Br)oc2cocc12.Brc1cc2cocc2nc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6Het5
 ullmann_X	5126	Cc1c(Br)oc2cocc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6Het6
 ullmann_X	5127	Cc1c(Br)oc2cocc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6Phe
 ullmann_X	5128	Cc1c(Br)oc2cocc12.Brc1cc2cocc2cc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_PheHet5
 ullmann_X	5129	Cc1c(Br)oc2cocc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_PheHet6
-ullmann_X	5130	Cc1c(Br)oc2cocc12.Clc1cocc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het5
+ullmann_X	5130	Cc1c(Br)oc2cocc12.Clc1cocc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het5
 ullmann_X	5131	Cc1c(Br)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het5Het5
 ullmann_X	5132	Cc1c(Br)oc2cocc12.Clc1oc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het5Het6
 ullmann_X	5133	Cc1c(Br)oc2cocc12.Clc1oc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het5Phe
-ullmann_X	5134	Cc1c(Br)oc2cocc12.Clc1ccncc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het6
+ullmann_X	5134	Cc1c(Br)oc2cocc12.Clc1ccncc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het6
 ullmann_X	5135	Cc1c(Br)oc2cocc12.Clc1cc2cocc2nc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het6Het5
 ullmann_X	5136	Cc1c(Br)oc2cocc12.Clc1ncc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het6Het6
 ullmann_X	5137	Cc1c(Br)oc2cocc12.Clc1ncc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Chloride_Het6Phe
-ullmann_X	5138	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cocc1I>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het5
+ullmann_X	5138	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cocc1I>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het5
 ullmann_X	5139	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het5Het5
 ullmann_X	5140	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)oc2ccncc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het5Het6
 ullmann_X	5141	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)oc2ccccc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het5Phe
-ullmann_X	5142	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cnccc1I>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het6
+ullmann_X	5142	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cnccc1I>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het6
 ullmann_X	5143	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1nc2cocc2cc1I>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het6Het5
 ullmann_X	5144	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het6Het6
 ullmann_X	5145	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)ncc2ccccc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_Het6Phe
 ullmann_X	5146	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1cc2cocc2cc1I>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_PheHet5
 ullmann_X	5147	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1CCc1c(I)ccc2ccncc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Iodide_PheHet6
-ullmann_X	5148	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het5
+ullmann_X	5148	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het5
 ullmann_X	5149	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het5Het5
 ullmann_X	5150	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het5Het6
 ullmann_X	5151	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het5Phe
-ullmann_X	5152	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het6
+ullmann_X	5152	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het6
 ullmann_X	5153	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het6Het5
 ullmann_X	5154	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het6Het6
 ullmann_X	5155	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_Het6Phe
 ullmann_X	5156	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_PheHet5
 ullmann_X	5157	Cc1c(Br)oc2cocc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Triflate_PheHet6
-ullmann_X	5158	Cc1c(Br)oc2ccncc12.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Phe
+ullmann_X	5158	Cc1c(Br)oc2ccncc12.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Phe
 ullmann_X	5159	Cc1c(Br)oc2ccncc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_PhePhe
-ullmann_X	5160	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Phe
+ullmann_X	5160	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Phe
 ullmann_X	5161	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_PhePhe
-ullmann_X	5162	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(Br)oc3ccncc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Phe
+ullmann_X	5162	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(Br)oc3ccncc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Phe
 ullmann_X	5163	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_PhePhe
-ullmann_X	5164	Cc1c(Br)oc2ccncc12.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5
+ullmann_X	5164	Cc1c(Br)oc2ccncc12.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5
 ullmann_X	5165	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5Het5
 ullmann_X	5166	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5Het6
 ullmann_X	5167	Cc1c(Br)oc2ccncc12.Brc1oc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5Phe
-ullmann_X	5168	Cc1c(Br)oc2ccncc12.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6
+ullmann_X	5168	Cc1c(Br)oc2ccncc12.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6
 ullmann_X	5169	Cc1c(Br)oc2ccncc12.Brc1cc2cocc2nc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6Het5
 ullmann_X	5170	Cc1c(Br)oc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6Het6
 ullmann_X	5171	Cc1c(Br)oc2ccncc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6Phe
 ullmann_X	5172	Cc1c(Br)oc2ccncc12.Brc1cc2cocc2cc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_PheHet5
 ullmann_X	5173	Cc1c(Br)oc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_PheHet6
-ullmann_X	5174	Cc1c(Br)oc2ccncc12.Clc1cocc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het5
+ullmann_X	5174	Cc1c(Br)oc2ccncc12.Clc1cocc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het5
 ullmann_X	5175	Cc1c(Br)oc2ccncc12.Clc1oc2cocc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het5Het5
 ullmann_X	5176	Cc1c(Br)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het5Het6
 ullmann_X	5177	Cc1c(Br)oc2ccncc12.Clc1oc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het5Phe
-ullmann_X	5178	Cc1c(Br)oc2ccncc12.Clc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het6
+ullmann_X	5178	Cc1c(Br)oc2ccncc12.Clc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het6
 ullmann_X	5179	Cc1c(Br)oc2ccncc12.Clc1cc2cocc2nc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het6Het5
 ullmann_X	5180	Cc1c(Br)oc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het6Het6
 ullmann_X	5181	Cc1c(Br)oc2ccncc12.Clc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Chloride_Het6Phe
-ullmann_X	5182	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het5
+ullmann_X	5182	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het5
 ullmann_X	5183	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het5Het5
 ullmann_X	5184	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het5Het6
 ullmann_X	5185	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het5Phe
-ullmann_X	5186	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het6
+ullmann_X	5186	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het6
 ullmann_X	5187	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het6Het5
 ullmann_X	5188	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het6Het6
 ullmann_X	5189	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_Het6Phe
 ullmann_X	5190	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_PheHet5
 ullmann_X	5191	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1CCc1c(I)ccc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Iodide_PheHet6
-ullmann_X	5192	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het5
+ullmann_X	5192	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het5
 ullmann_X	5193	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het5Het5
 ullmann_X	5194	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het5Het6
 ullmann_X	5195	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het5Phe
-ullmann_X	5196	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het6
+ullmann_X	5196	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het6
 ullmann_X	5197	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het6Het5
 ullmann_X	5198	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het6Het6
 ullmann_X	5199	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_Het6Phe
 ullmann_X	5200	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_PheHet5
 ullmann_X	5201	Cc1c(Br)oc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Triflate_PheHet6
-ullmann_X	5202	Cc1c(Br)oc2ccccc12.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Phe
+ullmann_X	5202	Cc1c(Br)oc2ccccc12.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Phe
 ullmann_X	5203	Cc1c(Br)oc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_PhePhe
-ullmann_X	5204	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Phe
+ullmann_X	5204	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Phe
 ullmann_X	5205	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_PhePhe
-ullmann_X	5206	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(Br)oc3ccccc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Phe
+ullmann_X	5206	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Br)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(Br)oc3ccccc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Phe
 ullmann_X	5207	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_PhePhe
-ullmann_X	5208	Cc1c(Br)oc2ccccc12.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5
+ullmann_X	5208	Cc1c(Br)oc2ccccc12.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5
 ullmann_X	5209	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5Het5
 ullmann_X	5210	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5Het6
 ullmann_X	5211	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5Phe
-ullmann_X	5212	Cc1c(Br)oc2ccccc12.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6
+ullmann_X	5212	Cc1c(Br)oc2ccccc12.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6
 ullmann_X	5213	Cc1c(Br)oc2ccccc12.Brc1cc2cocc2nc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6Het5
 ullmann_X	5214	Cc1c(Br)oc2ccccc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6Het6
 ullmann_X	5215	Cc1c(Br)oc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6Phe
 ullmann_X	5216	Cc1c(Br)oc2ccccc12.Brc1cc2cocc2cc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_PheHet5
 ullmann_X	5217	Cc1c(Br)oc2ccccc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_PheHet6
-ullmann_X	5218	Cc1c(Br)oc2ccccc12.Clc1cocc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het5
+ullmann_X	5218	Cc1c(Br)oc2ccccc12.Clc1cocc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het5
 ullmann_X	5219	Cc1c(Br)oc2ccccc12.Clc1oc2cocc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het5Het5
 ullmann_X	5220	Cc1c(Br)oc2ccccc12.Clc1oc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het5Het6
 ullmann_X	5221	Cc1c(Br)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het5Phe
-ullmann_X	5222	Cc1c(Br)oc2ccccc12.Clc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het6
+ullmann_X	5222	Cc1c(Br)oc2ccccc12.Clc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het6
 ullmann_X	5223	Cc1c(Br)oc2ccccc12.Clc1cc2cocc2nc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het6Het5
 ullmann_X	5224	Cc1c(Br)oc2ccccc12.Clc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het6Het6
 ullmann_X	5225	Cc1c(Br)oc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Chloride_Het6Phe
-ullmann_X	5226	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het5
+ullmann_X	5226	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het5
 ullmann_X	5227	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het5Het5
 ullmann_X	5228	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het5Het6
 ullmann_X	5229	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het5Phe
-ullmann_X	5230	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het6
+ullmann_X	5230	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het6
 ullmann_X	5231	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het6Het5
 ullmann_X	5232	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het6Het6
 ullmann_X	5233	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_Het6Phe
 ullmann_X	5234	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_PheHet5
 ullmann_X	5235	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1CCc1c(I)ccc2ccncc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Iodide_PheHet6
-ullmann_X	5236	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het5
+ullmann_X	5236	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het5
 ullmann_X	5237	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het5Het5
 ullmann_X	5238	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het5Het6
 ullmann_X	5239	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het5Phe
-ullmann_X	5240	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het6
+ullmann_X	5240	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het6
 ullmann_X	5241	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het6Het5
 ullmann_X	5242	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het6Het6
 ullmann_X	5243	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_Het6Phe
 ullmann_X	5244	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_PheHet5
 ullmann_X	5245	Cc1c(Br)oc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Triflate_PheHet6
-ullmann_X	5246	Cc1cnccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Phe
-ullmann_X	5247	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PhePhe
-ullmann_X	5248	Cc1cnccc1Br.Brc1ccncc1Cc1ccccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Phe
-ullmann_X	5249	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_PhePhe
-ullmann_X	5250	Cc1cnccc1Br.O=S(=O)(Oc1cccc(Cc2cnccc2Br)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Phe
-ullmann_X	5251	Cc1cnccc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_PhePhe
-ullmann_X	5252	Cc1cnccc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5
-ullmann_X	5253	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het5
-ullmann_X	5254	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het6
-ullmann_X	5255	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Phe
-ullmann_X	5256	Cc1cnccc1Br.Brc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6
-ullmann_X	5257	Cc1cnccc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het5
-ullmann_X	5258	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het6
-ullmann_X	5259	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Phe
-ullmann_X	5260	Cc1cnccc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet5
-ullmann_X	5261	Cc1cnccc1Br.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet6
-ullmann_X	5262	Cc1cnccc1Br.Clc1cocc1Cc1cnccc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5
-ullmann_X	5263	Cc1cnccc1Br.Clc1oc2cocc2c1Cc1cnccc1Br>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5Het5
-ullmann_X	5264	Cc1cnccc1Br.Clc1oc2ccncc2c1Cc1cnccc1Br>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5Het6
-ullmann_X	5265	Cc1cnccc1Br.Clc1oc2ccccc2c1Cc1cnccc1Br>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5Phe
-ullmann_X	5266	Cc1cnccc1Br.Clc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6
-ullmann_X	5267	Cc1cnccc1Br.Clc1cc2cocc2nc1Cc1cnccc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6Het5
-ullmann_X	5268	Cc1cnccc1Br.Clc1ncc2ccncc2c1Cc1cnccc1Br>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6Het6
-ullmann_X	5269	Cc1cnccc1Br.Clc1ncc2ccccc2c1Cc1cnccc1Br>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6Phe
-ullmann_X	5270	Cc1cnccc1Br.Brc1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5
-ullmann_X	5271	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5Het5
-ullmann_X	5272	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5Het6
-ullmann_X	5273	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5Phe
-ullmann_X	5274	Cc1cnccc1Br.Brc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6
-ullmann_X	5275	Cc1cnccc1Br.Brc1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6Het5
-ullmann_X	5276	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6Het6
-ullmann_X	5277	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6Phe
-ullmann_X	5278	Cc1cnccc1Br.Brc1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_PheHet5
-ullmann_X	5279	Cc1cnccc1Br.Brc1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_PheHet6
-ullmann_X	5280	Cc1cnccc1Br.O=S(=O)(Oc1cocc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5
-ullmann_X	5281	Cc1cnccc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5Het5
-ullmann_X	5282	Cc1cnccc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5Het6
-ullmann_X	5283	Cc1cnccc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5Phe
-ullmann_X	5284	Cc1cnccc1Br.O=S(=O)(Oc1ccncc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6
-ullmann_X	5285	Cc1cnccc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6Het5
-ullmann_X	5286	Cc1cnccc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6Het6
-ullmann_X	5287	Cc1cnccc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6Phe
-ullmann_X	5288	Cc1cnccc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_PheHet5
-ullmann_X	5289	Cc1cnccc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_PheHet6
-ullmann_X	5290	Cc1nc2cocc2cc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Phe
+ullmann_X	5246	Cc1cnccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Phe
+ullmann_X	5247	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PhePhe
+ullmann_X	5248	Cc1cnccc1Br.Brc1ccncc1Cc1ccccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Phe
+ullmann_X	5249	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_PhePhe
+ullmann_X	5250	Cc1cnccc1Br.O=S(=O)(Oc1cccc(Cc2cnccc2Br)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Phe
+ullmann_X	5251	Cc1cnccc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_PhePhe
+ullmann_X	5252	Cc1cnccc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5
+ullmann_X	5253	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het5
+ullmann_X	5254	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het6
+ullmann_X	5255	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Phe
+ullmann_X	5256	Cc1cnccc1Br.Brc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6
+ullmann_X	5257	Cc1cnccc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het5
+ullmann_X	5258	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het6
+ullmann_X	5259	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Phe
+ullmann_X	5260	Cc1cnccc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet5
+ullmann_X	5261	Cc1cnccc1Br.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet6
+ullmann_X	5262	Cc1cnccc1Br.Clc1cocc1Cc1cnccc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5
+ullmann_X	5263	Cc1cnccc1Br.Clc1oc2cocc2c1Cc1cnccc1Br>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5Het5
+ullmann_X	5264	Cc1cnccc1Br.Clc1oc2ccncc2c1Cc1cnccc1Br>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5Het6
+ullmann_X	5265	Cc1cnccc1Br.Clc1oc2ccccc2c1Cc1cnccc1Br>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het5Phe
+ullmann_X	5266	Cc1cnccc1Br.Clc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6
+ullmann_X	5267	Cc1cnccc1Br.Clc1cc2cocc2nc1Cc1cnccc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6Het5
+ullmann_X	5268	Cc1cnccc1Br.Clc1ncc2ccncc2c1Cc1cnccc1Br>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6Het6
+ullmann_X	5269	Cc1cnccc1Br.Clc1ncc2ccccc2c1Cc1cnccc1Br>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Chloride_Het6Phe
+ullmann_X	5270	Cc1cnccc1Br.Brc1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5
+ullmann_X	5271	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5Het5
+ullmann_X	5272	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5Het6
+ullmann_X	5273	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het5Phe
+ullmann_X	5274	Cc1cnccc1Br.Brc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6
+ullmann_X	5275	Cc1cnccc1Br.Brc1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6Het5
+ullmann_X	5276	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6Het6
+ullmann_X	5277	Cc1cnccc1Br.Brc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_Het6Phe
+ullmann_X	5278	Cc1cnccc1Br.Brc1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_PheHet5
+ullmann_X	5279	Cc1cnccc1Br.Brc1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Iodide_PheHet6
+ullmann_X	5280	Cc1cnccc1Br.O=S(=O)(Oc1cocc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5
+ullmann_X	5281	Cc1cnccc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5Het5
+ullmann_X	5282	Cc1cnccc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5Het6
+ullmann_X	5283	Cc1cnccc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het5Phe
+ullmann_X	5284	Cc1cnccc1Br.O=S(=O)(Oc1ccncc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6
+ullmann_X	5285	Cc1cnccc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6Het5
+ullmann_X	5286	Cc1cnccc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6Het6
+ullmann_X	5287	Cc1cnccc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_Het6Phe
+ullmann_X	5288	Cc1cnccc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_PheHet5
+ullmann_X	5289	Cc1cnccc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Triflate_PheHet6
+ullmann_X	5290	Cc1nc2cocc2cc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Phe
 ullmann_X	5291	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_PhePhe
-ullmann_X	5292	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1ccccc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Phe
+ullmann_X	5292	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1ccccc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Phe
 ullmann_X	5293	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(I)ccc2ccccc12>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_PhePhe
-ullmann_X	5294	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Br)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Phe
+ullmann_X	5294	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Br)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Phe
 ullmann_X	5295	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_PhePhe
-ullmann_X	5296	Cc1nc2cocc2cc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5
+ullmann_X	5296	Cc1nc2cocc2cc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5
 ullmann_X	5297	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5Het5
 ullmann_X	5298	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5Het6
 ullmann_X	5299	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5Phe
-ullmann_X	5300	Cc1nc2cocc2cc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6
+ullmann_X	5300	Cc1nc2cocc2cc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6
 ullmann_X	5301	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6Het5
 ullmann_X	5302	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6Het6
 ullmann_X	5303	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6Phe
 ullmann_X	5304	Cc1nc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_PheHet5
 ullmann_X	5305	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_PheHet6
-ullmann_X	5306	Cc1nc2cocc2cc1Br.Clc1cocc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het5
+ullmann_X	5306	Cc1nc2cocc2cc1Br.Clc1cocc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het5
 ullmann_X	5307	Cc1nc2cocc2cc1Br.Clc1oc2cocc2c1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het5Het5
 ullmann_X	5308	Cc1nc2cocc2cc1Br.Clc1oc2ccncc2c1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het5Het6
 ullmann_X	5309	Cc1nc2cocc2cc1Br.Clc1oc2ccccc2c1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het5Phe
-ullmann_X	5310	Cc1nc2cocc2cc1Br.Clc1ccncc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het6
+ullmann_X	5310	Cc1nc2cocc2cc1Br.Clc1ccncc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het6
 ullmann_X	5311	Cc1nc2cocc2cc1Br.Clc1cc2cocc2nc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het6Het5
 ullmann_X	5312	Cc1nc2cocc2cc1Br.Clc1ncc2ccncc2c1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het6Het6
 ullmann_X	5313	Cc1nc2cocc2cc1Br.Clc1ncc2ccccc2c1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Chloride_Het6Phe
-ullmann_X	5314	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cocc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het5
+ullmann_X	5314	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cocc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het5
 ullmann_X	5315	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(I)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het5Het5
 ullmann_X	5316	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(I)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het5Het6
 ullmann_X	5317	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(I)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het5Phe
-ullmann_X	5318	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cnccc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het6
+ullmann_X	5318	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cnccc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het6
 ullmann_X	5319	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het6Het5
 ullmann_X	5320	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(I)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het6Het6
 ullmann_X	5321	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(I)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_Het6Phe
 ullmann_X	5322	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1cc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_PheHet5
 ullmann_X	5323	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CCc1c(I)ccc2ccncc12>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Iodide_PheHet6
-ullmann_X	5324	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het5
+ullmann_X	5324	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het5
 ullmann_X	5325	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het5Het5
 ullmann_X	5326	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het5Het6
 ullmann_X	5327	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het5Phe
-ullmann_X	5328	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het6
+ullmann_X	5328	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het6
 ullmann_X	5329	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het6Het5
 ullmann_X	5330	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het6Het6
 ullmann_X	5331	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_Het6Phe
 ullmann_X	5332	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_PheHet5
 ullmann_X	5333	Cc1nc2cocc2cc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Triflate_PheHet6
-ullmann_X	5334	Cc1c(Br)ncc2ccncc12.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Phe
+ullmann_X	5334	Cc1c(Br)ncc2ccncc12.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Phe
 ullmann_X	5335	Cc1c(Br)ncc2ccncc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_PhePhe
-ullmann_X	5336	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Phe
+ullmann_X	5336	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Phe
 ullmann_X	5337	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_PhePhe
-ullmann_X	5338	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(Br)ncc3ccncc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Phe
+ullmann_X	5338	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(Br)ncc3ccncc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Phe
 ullmann_X	5339	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_PhePhe
-ullmann_X	5340	Cc1c(Br)ncc2ccncc12.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5
+ullmann_X	5340	Cc1c(Br)ncc2ccncc12.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5
 ullmann_X	5341	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5Het5
 ullmann_X	5342	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5Het6
 ullmann_X	5343	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5Phe
-ullmann_X	5344	Cc1c(Br)ncc2ccncc12.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6
+ullmann_X	5344	Cc1c(Br)ncc2ccncc12.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6
 ullmann_X	5345	Cc1c(Br)ncc2ccncc12.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6Het5
 ullmann_X	5346	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6Het6
 ullmann_X	5347	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6Phe
 ullmann_X	5348	Cc1c(Br)ncc2ccncc12.Brc1cc2cocc2cc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_PheHet5
 ullmann_X	5349	Cc1c(Br)ncc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_PheHet6
-ullmann_X	5350	Cc1c(Br)ncc2ccncc12.Clc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het5
+ullmann_X	5350	Cc1c(Br)ncc2ccncc12.Clc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het5
 ullmann_X	5351	Cc1c(Br)ncc2ccncc12.Clc1oc2cocc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het5Het5
 ullmann_X	5352	Cc1c(Br)ncc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het5Het6
 ullmann_X	5353	Cc1c(Br)ncc2ccncc12.Clc1oc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het5Phe
-ullmann_X	5354	Cc1c(Br)ncc2ccncc12.Clc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het6
+ullmann_X	5354	Cc1c(Br)ncc2ccncc12.Clc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het6
 ullmann_X	5355	Cc1c(Br)ncc2ccncc12.Clc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het6Het5
 ullmann_X	5356	Cc1c(Br)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het6Het6
 ullmann_X	5357	Cc1c(Br)ncc2ccncc12.Clc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Chloride_Het6Phe
-ullmann_X	5358	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het5
+ullmann_X	5358	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het5
 ullmann_X	5359	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het5Het5
 ullmann_X	5360	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het5Het6
 ullmann_X	5361	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het5Phe
-ullmann_X	5362	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het6
+ullmann_X	5362	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het6
 ullmann_X	5363	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het6Het5
 ullmann_X	5364	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het6Het6
 ullmann_X	5365	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_Het6Phe
 ullmann_X	5366	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_PheHet5
 ullmann_X	5367	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1CCc1c(I)ccc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Iodide_PheHet6
-ullmann_X	5368	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het5
+ullmann_X	5368	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het5
 ullmann_X	5369	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het5Het5
 ullmann_X	5370	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het5Het6
 ullmann_X	5371	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het5Phe
-ullmann_X	5372	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het6
+ullmann_X	5372	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het6
 ullmann_X	5373	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het6Het5
 ullmann_X	5374	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het6Het6
 ullmann_X	5375	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_Het6Phe
 ullmann_X	5376	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_PheHet5
 ullmann_X	5377	Cc1c(Br)ncc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Triflate_PheHet6
-ullmann_X	5378	Cc1c(Br)ncc2ccccc12.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Phe
+ullmann_X	5378	Cc1c(Br)ncc2ccccc12.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Phe
 ullmann_X	5379	Cc1c(Br)ncc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_PhePhe
-ullmann_X	5380	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Phe
+ullmann_X	5380	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Phe
 ullmann_X	5381	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_PhePhe
-ullmann_X	5382	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(Br)ncc3ccccc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Phe
+ullmann_X	5382	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Br)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(Br)ncc3ccccc23)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Phe
 ullmann_X	5383	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_PhePhe
-ullmann_X	5384	Cc1c(Br)ncc2ccccc12.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5
+ullmann_X	5384	Cc1c(Br)ncc2ccccc12.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5
 ullmann_X	5385	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5Het5
 ullmann_X	5386	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5Het6
 ullmann_X	5387	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5Phe
-ullmann_X	5388	Cc1c(Br)ncc2ccccc12.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6
+ullmann_X	5388	Cc1c(Br)ncc2ccccc12.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6
 ullmann_X	5389	Cc1c(Br)ncc2ccccc12.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6Het5
 ullmann_X	5390	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6Het6
 ullmann_X	5391	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6Phe
 ullmann_X	5392	Cc1c(Br)ncc2ccccc12.Brc1cc2cocc2cc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_PheHet5
 ullmann_X	5393	Cc1c(Br)ncc2ccccc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_PheHet6
-ullmann_X	5394	Cc1c(Br)ncc2ccccc12.Clc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het5
+ullmann_X	5394	Cc1c(Br)ncc2ccccc12.Clc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het5
 ullmann_X	5395	Cc1c(Br)ncc2ccccc12.Clc1oc2cocc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het5Het5
 ullmann_X	5396	Cc1c(Br)ncc2ccccc12.Clc1oc2ccncc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het5Het6
 ullmann_X	5397	Cc1c(Br)ncc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het5Phe
-ullmann_X	5398	Cc1c(Br)ncc2ccccc12.Clc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het6
+ullmann_X	5398	Cc1c(Br)ncc2ccccc12.Clc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het6
 ullmann_X	5399	Cc1c(Br)ncc2ccccc12.Clc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het6Het5
 ullmann_X	5400	Cc1c(Br)ncc2ccccc12.Clc1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het6Het6
 ullmann_X	5401	Cc1c(Br)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Chloride_Het6Phe
-ullmann_X	5402	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het5
+ullmann_X	5402	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het5
 ullmann_X	5403	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het5Het5
 ullmann_X	5404	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het5Het6
 ullmann_X	5405	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het5Phe
-ullmann_X	5406	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het6
+ullmann_X	5406	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het6
 ullmann_X	5407	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het6Het5
 ullmann_X	5408	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het6Het6
 ullmann_X	5409	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_Het6Phe
 ullmann_X	5410	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_PheHet5
 ullmann_X	5411	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1CCc1c(I)ccc2ccncc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Iodide_PheHet6
-ullmann_X	5412	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het5
+ullmann_X	5412	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het5
 ullmann_X	5413	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het5Het5
 ullmann_X	5414	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het5Het6
 ullmann_X	5415	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het5Phe
-ullmann_X	5416	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het6
+ullmann_X	5416	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het6
 ullmann_X	5417	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het6Het5
 ullmann_X	5418	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het6Het6
 ullmann_X	5419	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_Het6Phe
 ullmann_X	5420	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_PheHet5
 ullmann_X	5421	Cc1c(Br)ncc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Triflate_PheHet6
-ullmann_X	5422	Cc1cc2cocc2cc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Phe
+ullmann_X	5422	Cc1cc2cocc2cc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Phe
 ullmann_X	5423	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)ccc2ccccc12>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_PhePhe
-ullmann_X	5424	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1ccccc1I>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Phe
+ullmann_X	5424	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1ccccc1I>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Phe
 ullmann_X	5425	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(I)ccc2ccccc12>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_PhePhe
-ullmann_X	5426	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2Br)c1)C(F)(F)F>>Cc1cc2cocc2cc1c1cccc(Cc2cc3cocc3cc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Phe
+ullmann_X	5426	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2Br)c1)C(F)(F)F>>Cc1cc2cocc2cc1c1cccc(Cc2cc3cocc3cc2Br)c1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Phe
 ullmann_X	5427	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1ccc2ccccc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_PhePhe
-ullmann_X	5428	Cc1cc2cocc2cc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5
+ullmann_X	5428	Cc1cc2cocc2cc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5
 ullmann_X	5429	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)oc2cocc12>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5Het5
 ullmann_X	5430	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)oc2ccncc12>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5Het6
 ullmann_X	5431	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)oc2ccccc12>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5Phe
-ullmann_X	5432	Cc1cc2cocc2cc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6
+ullmann_X	5432	Cc1cc2cocc2cc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6
 ullmann_X	5433	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1nc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6Het5
 ullmann_X	5434	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)ncc2ccncc12>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6Het6
 ullmann_X	5435	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)ncc2ccccc12>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6Phe
 ullmann_X	5436	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_PheHet5
 ullmann_X	5437	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CCc1c(Br)ccc2ccncc12>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_PheHet6
-ullmann_X	5438	Cc1cc2cocc2cc1Br.Clc1cocc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het5
+ullmann_X	5438	Cc1cc2cocc2cc1Br.Clc1cocc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het5
 ullmann_X	5439	Cc1cc2cocc2cc1Br.Clc1oc2cocc2c1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het5Het5
 ullmann_X	5440	Cc1cc2cocc2cc1Br.Clc1oc2ccncc2c1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het5Het6
 ullmann_X	5441	Cc1cc2cocc2cc1Br.Clc1oc2ccccc2c1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het5Phe
-ullmann_X	5442	Cc1cc2cocc2cc1Br.Clc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het6
+ullmann_X	5442	Cc1cc2cocc2cc1Br.Clc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het6
 ullmann_X	5443	Cc1cc2cocc2cc1Br.Clc1cc2cocc2nc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het6Het5
 ullmann_X	5444	Cc1cc2cocc2cc1Br.Clc1ncc2ccncc2c1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het6Het6
 ullmann_X	5445	Cc1cc2cocc2cc1Br.Clc1ncc2ccccc2c1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Chloride_Het6Phe
-ullmann_X	5446	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cocc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het5
+ullmann_X	5446	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cocc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het5
 ullmann_X	5447	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(I)oc2cocc12>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het5Het5
 ullmann_X	5448	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(I)oc2ccncc12>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het5Het6
 ullmann_X	5449	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(I)oc2ccccc12>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het5Phe
-ullmann_X	5450	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cnccc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het6
+ullmann_X	5450	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cnccc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het6
 ullmann_X	5451	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1nc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het6Het5
 ullmann_X	5452	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(I)ncc2ccncc12>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het6Het6
 ullmann_X	5453	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(I)ncc2ccccc12>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_Het6Phe
 ullmann_X	5454	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_PheHet5
 ullmann_X	5455	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CCc1c(I)ccc2ccncc12>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Iodide_PheHet6
-ullmann_X	5456	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het5
+ullmann_X	5456	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het5
 ullmann_X	5457	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1oc2cocc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het5Het5
 ullmann_X	5458	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1oc2ccncc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het5Het6
 ullmann_X	5459	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1oc2ccccc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het5Phe
-ullmann_X	5460	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het6
+ullmann_X	5460	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het6
 ullmann_X	5461	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1cc2cocc2nc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het6Het5
 ullmann_X	5462	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1ncc2ccncc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het6Het6
 ullmann_X	5463	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1ncc2ccccc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_Het6Phe
 ullmann_X	5464	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1cc2cocc2cc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_PheHet5
 ullmann_X	5465	Cc1cc2cocc2cc1Br.O=S(=O)(Oc1ccc2ccncc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Triflate_PheHet6
-ullmann_X	5466	CCc1c(Br)ccc2ccncc12.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Phe
+ullmann_X	5466	CCc1c(Br)ccc2ccncc12.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Phe
 ullmann_X	5467	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_PhePhe
-ullmann_X	5468	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1ccccc1I>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Phe
+ullmann_X	5468	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1ccccc1I>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Phe
 ullmann_X	5469	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)ccc2ccccc12>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_PhePhe
-ullmann_X	5470	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1cccc(CCc2c(Br)ccc3ccncc23)c1)C(F)(F)F>>CCc1c(c2cccc(CCc3c(Br)ccc4ccncc34)c2)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Phe
+ullmann_X	5470	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1cccc(CCc2c(Br)ccc3ccncc23)c1)C(F)(F)F>>CCc1c(c2cccc(CCc3c(Br)ccc4ccncc34)c2)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Phe
 ullmann_X	5471	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_PhePhe
-ullmann_X	5472	CCc1c(Br)ccc2ccncc12.Brc1cocc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5
+ullmann_X	5472	CCc1c(Br)ccc2ccncc12.Brc1cocc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5
 ullmann_X	5473	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2cocc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5Het5
 ullmann_X	5474	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5Het6
 ullmann_X	5475	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccccc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5Phe
-ullmann_X	5476	CCc1c(Br)ccc2ccncc12.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6
+ullmann_X	5476	CCc1c(Br)ccc2ccncc12.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6
 ullmann_X	5477	CCc1c(Br)ccc2ccncc12.Brc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6Het5
 ullmann_X	5478	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6Het6
 ullmann_X	5479	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6Phe
 ullmann_X	5480	CCc1c(Br)ccc2ccncc12.Brc1cc2cocc2cc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2cc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_PheHet5
 ullmann_X	5481	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccncc2c1CCCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_PheHet6
-ullmann_X	5482	CCc1c(Br)ccc2ccncc12.Clc1cocc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het5
+ullmann_X	5482	CCc1c(Br)ccc2ccncc12.Clc1cocc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het5
 ullmann_X	5483	CCc1c(Br)ccc2ccncc12.Clc1oc2cocc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het5Het5
 ullmann_X	5484	CCc1c(Br)ccc2ccncc12.Clc1oc2ccncc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het5Het6
 ullmann_X	5485	CCc1c(Br)ccc2ccncc12.Clc1oc2ccccc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het5Phe
-ullmann_X	5486	CCc1c(Br)ccc2ccncc12.Clc1ccncc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het6
+ullmann_X	5486	CCc1c(Br)ccc2ccncc12.Clc1ccncc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het6
 ullmann_X	5487	CCc1c(Br)ccc2ccncc12.Clc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het6Het5
 ullmann_X	5488	CCc1c(Br)ccc2ccncc12.Clc1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het6Het6
 ullmann_X	5489	CCc1c(Br)ccc2ccncc12.Clc1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Chloride_Het6Phe
-ullmann_X	5490	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cocc1I>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het5
+ullmann_X	5490	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cocc1I>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het5
 ullmann_X	5491	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)oc2cocc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het5Het5
 ullmann_X	5492	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)oc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het5Het6
 ullmann_X	5493	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)oc2ccccc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het5Phe
-ullmann_X	5494	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cnccc1I>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het6
+ullmann_X	5494	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cnccc1I>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het6
 ullmann_X	5495	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1nc2cocc2cc1I>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het6Het5
 ullmann_X	5496	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)ncc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het6Het6
 ullmann_X	5497	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)ncc2ccccc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_Het6Phe
 ullmann_X	5498	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1cc2cocc2cc1I>>CCc1c2cnccc2ccc1c1cc2cocc2cc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_PheHet5
 ullmann_X	5499	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccncc2c1CCCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Iodide_PheHet6
-ullmann_X	5500	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1cocc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het5
+ullmann_X	5500	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1cocc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het5
 ullmann_X	5501	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1oc2cocc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het5Het5
 ullmann_X	5502	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het5Het6
 ullmann_X	5503	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het5Phe
-ullmann_X	5504	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1ccncc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het6
+ullmann_X	5504	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1ccncc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het6
 ullmann_X	5505	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het6Het5
 ullmann_X	5506	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het6Het6
 ullmann_X	5507	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_Het6Phe
 ullmann_X	5508	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cc2cocc2cc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_PheHet5
 ullmann_X	5509	CCc1c(Br)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1:S(=O)(=O)C(F)(F)F	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Triflate_PheHet6
-ullmann_X	5510	Cc1cocc1Cl.Clc1cocc1Cc1ccccc1Br>>Cc1cocc1c1ccccc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Phe
-ullmann_X	5511	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_PhePhe
-ullmann_X	5512	Cc1cocc1Cl.Clc1cocc1Cc1ccccc1I>>Cc1cocc1c1ccccc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Phe
-ullmann_X	5513	Cc1cocc1Cl.Clc1cocc1Cc1c(I)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_PhePhe
-ullmann_X	5514	Cc1cocc1Cl.O=S(=O)(Oc1cccc(Cc2cocc2Cl)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2Cl)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Phe
-ullmann_X	5515	Cc1cocc1Cl.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_PhePhe
-ullmann_X	5516	Cc1cocc1Cl.Clc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5
-ullmann_X	5517	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5Het5
-ullmann_X	5518	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5Het6
-ullmann_X	5519	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5Phe
-ullmann_X	5520	Cc1cocc1Cl.Clc1cocc1Cc1cnccc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6
-ullmann_X	5521	Cc1cocc1Cl.Clc1cocc1Cc1nc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6Het5
-ullmann_X	5522	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6Het6
-ullmann_X	5523	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6Phe
-ullmann_X	5524	Cc1cocc1Cl.Clc1cocc1Cc1cc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_PheHet5
-ullmann_X	5525	Cc1cocc1Cl.Clc1cocc1CCc1c(Br)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_PheHet6
-ullmann_X	5526	Cc1cocc1Cl.Clc1cocc1Cc1cocc1Cl>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5
-ullmann_X	5527	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5Het5
-ullmann_X	5528	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5Het6
-ullmann_X	5529	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5Phe
-ullmann_X	5530	Cc1cocc1Cl.Clc1ccncc1Cc1cocc1Cl>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6
-ullmann_X	5531	Cc1cocc1Cl.Clc1cocc1Cc1nc2cocc2cc1Cl>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6Het5
-ullmann_X	5532	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6Het6
-ullmann_X	5533	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6Phe
-ullmann_X	5534	Cc1cocc1Cl.Clc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5
-ullmann_X	5535	Cc1cocc1Cl.Clc1cocc1Cc1c(I)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5Het5
-ullmann_X	5536	Cc1cocc1Cl.Clc1cocc1Cc1c(I)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5Het6
-ullmann_X	5537	Cc1cocc1Cl.Clc1cocc1Cc1c(I)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5Phe
-ullmann_X	5538	Cc1cocc1Cl.Clc1cocc1Cc1cnccc1I>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6
-ullmann_X	5539	Cc1cocc1Cl.Clc1cocc1Cc1nc2cocc2cc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6Het5
-ullmann_X	5540	Cc1cocc1Cl.Clc1cocc1Cc1c(I)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6Het6
-ullmann_X	5541	Cc1cocc1Cl.Clc1cocc1Cc1c(I)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6Phe
-ullmann_X	5542	Cc1cocc1Cl.Clc1cocc1Cc1cc2cocc2cc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_PheHet5
-ullmann_X	5543	Cc1cocc1Cl.Clc1cocc1CCc1c(I)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_PheHet6
-ullmann_X	5544	Cc1cocc1Cl.O=S(=O)(Oc1cocc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5
-ullmann_X	5545	Cc1cocc1Cl.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5Het5
-ullmann_X	5546	Cc1cocc1Cl.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5Het6
-ullmann_X	5547	Cc1cocc1Cl.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5Phe
-ullmann_X	5548	Cc1cocc1Cl.O=S(=O)(Oc1ccncc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6
-ullmann_X	5549	Cc1cocc1Cl.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6Het5
-ullmann_X	5550	Cc1cocc1Cl.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6Het6
-ullmann_X	5551	Cc1cocc1Cl.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6Phe
-ullmann_X	5552	Cc1cocc1Cl.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_PheHet5
-ullmann_X	5553	Cc1cocc1Cl.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_PheHet6
-ullmann_X	5554	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccccc1Br>>Cc1c2cocc2oc1c1ccccc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Phe
+ullmann_X	5510	Cc1cocc1Cl.Clc1cocc1Cc1ccccc1Br>>Cc1cocc1c1ccccc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Phe
+ullmann_X	5511	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_PhePhe
+ullmann_X	5512	Cc1cocc1Cl.Clc1cocc1Cc1ccccc1I>>Cc1cocc1c1ccccc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Phe
+ullmann_X	5513	Cc1cocc1Cl.Clc1cocc1Cc1c(I)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_PhePhe
+ullmann_X	5514	Cc1cocc1Cl.O=S(=O)(Oc1cccc(Cc2cocc2Cl)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2Cl)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Phe
+ullmann_X	5515	Cc1cocc1Cl.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_PhePhe
+ullmann_X	5516	Cc1cocc1Cl.Clc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5
+ullmann_X	5517	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5Het5
+ullmann_X	5518	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5Het6
+ullmann_X	5519	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het5Phe
+ullmann_X	5520	Cc1cocc1Cl.Clc1cocc1Cc1cnccc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6
+ullmann_X	5521	Cc1cocc1Cl.Clc1cocc1Cc1nc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6Het5
+ullmann_X	5522	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6Het6
+ullmann_X	5523	Cc1cocc1Cl.Clc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_Het6Phe
+ullmann_X	5524	Cc1cocc1Cl.Clc1cocc1Cc1cc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_PheHet5
+ullmann_X	5525	Cc1cocc1Cl.Clc1cocc1CCc1c(Br)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Bromide_PheHet6
+ullmann_X	5526	Cc1cocc1Cl.Clc1cocc1Cc1cocc1Cl>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5
+ullmann_X	5527	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5Het5
+ullmann_X	5528	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5Het6
+ullmann_X	5529	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het5Phe
+ullmann_X	5530	Cc1cocc1Cl.Clc1ccncc1Cc1cocc1Cl>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6
+ullmann_X	5531	Cc1cocc1Cl.Clc1cocc1Cc1nc2cocc2cc1Cl>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6Het5
+ullmann_X	5532	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6Het6
+ullmann_X	5533	Cc1cocc1Cl.Clc1cocc1Cc1c(Cl)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Chloride_Het6Phe
+ullmann_X	5534	Cc1cocc1Cl.Clc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5
+ullmann_X	5535	Cc1cocc1Cl.Clc1cocc1Cc1c(I)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5Het5
+ullmann_X	5536	Cc1cocc1Cl.Clc1cocc1Cc1c(I)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5Het6
+ullmann_X	5537	Cc1cocc1Cl.Clc1cocc1Cc1c(I)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het5Phe
+ullmann_X	5538	Cc1cocc1Cl.Clc1cocc1Cc1cnccc1I>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6
+ullmann_X	5539	Cc1cocc1Cl.Clc1cocc1Cc1nc2cocc2cc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6Het5
+ullmann_X	5540	Cc1cocc1Cl.Clc1cocc1Cc1c(I)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6Het6
+ullmann_X	5541	Cc1cocc1Cl.Clc1cocc1Cc1c(I)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_Het6Phe
+ullmann_X	5542	Cc1cocc1Cl.Clc1cocc1Cc1cc2cocc2cc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_PheHet5
+ullmann_X	5543	Cc1cocc1Cl.Clc1cocc1CCc1c(I)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Iodide_PheHet6
+ullmann_X	5544	Cc1cocc1Cl.O=S(=O)(Oc1cocc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5
+ullmann_X	5545	Cc1cocc1Cl.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5Het5
+ullmann_X	5546	Cc1cocc1Cl.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5Het6
+ullmann_X	5547	Cc1cocc1Cl.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het5Phe
+ullmann_X	5548	Cc1cocc1Cl.O=S(=O)(Oc1ccncc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6
+ullmann_X	5549	Cc1cocc1Cl.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6Het5
+ullmann_X	5550	Cc1cocc1Cl.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6Het6
+ullmann_X	5551	Cc1cocc1Cl.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_Het6Phe
+ullmann_X	5552	Cc1cocc1Cl.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_PheHet5
+ullmann_X	5553	Cc1cocc1Cl.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5.X-Triflate_PheHet6
+ullmann_X	5554	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccccc1Br>>Cc1c2cocc2oc1c1ccccc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Phe
 ullmann_X	5555	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_PhePhe
-ullmann_X	5556	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccccc1I>>Cc1c2cocc2oc1c1ccccc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Phe
+ullmann_X	5556	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1ccccc1I>>Cc1c2cocc2oc1c1ccccc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Phe
 ullmann_X	5557	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)ccc2ccccc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_PhePhe
-ullmann_X	5558	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(Cl)oc3cocc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Phe
+ullmann_X	5558	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(Cl)oc3cocc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Phe
 ullmann_X	5559	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_PhePhe
-ullmann_X	5560	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cocc1Br>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het5
+ullmann_X	5560	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cocc1Br>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het5
 ullmann_X	5561	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het5Het5
 ullmann_X	5562	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het5Het6
 ullmann_X	5563	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)oc2ccccc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het5Phe
-ullmann_X	5564	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnccc1Br>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het6
+ullmann_X	5564	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnccc1Br>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het6
 ullmann_X	5565	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1nc2cocc2cc1Br>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het6Het5
 ullmann_X	5566	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het6Het6
 ullmann_X	5567	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_Het6Phe
 ullmann_X	5568	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cc2cocc2cc1Br>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_PheHet5
 ullmann_X	5569	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Bromide_PheHet6
-ullmann_X	5570	Cc1c(Cl)oc2cocc12.Clc1cocc1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het5
+ullmann_X	5570	Cc1c(Cl)oc2cocc12.Clc1cocc1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het5
 ullmann_X	5571	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het5Het5
 ullmann_X	5572	Cc1c(Cl)oc2cocc12.Clc1oc2ccncc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het5Het6
 ullmann_X	5573	Cc1c(Cl)oc2cocc12.Clc1oc2ccccc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het5Phe
-ullmann_X	5574	Cc1c(Cl)oc2cocc12.Clc1ccncc1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het6
+ullmann_X	5574	Cc1c(Cl)oc2cocc12.Clc1ccncc1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het6
 ullmann_X	5575	Cc1c(Cl)oc2cocc12.Clc1cc2cocc2nc1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het6Het5
 ullmann_X	5576	Cc1c(Cl)oc2cocc12.Clc1ncc2ccncc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het6Het6
 ullmann_X	5577	Cc1c(Cl)oc2cocc12.Clc1ncc2ccccc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Chloride_Het6Phe
-ullmann_X	5578	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cocc1I>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het5
+ullmann_X	5578	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cocc1I>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het5
 ullmann_X	5579	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het5Het5
 ullmann_X	5580	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)oc2ccncc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het5Het6
 ullmann_X	5581	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)oc2ccccc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het5Phe
-ullmann_X	5582	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnccc1I>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het6
+ullmann_X	5582	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cnccc1I>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het6
 ullmann_X	5583	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1nc2cocc2cc1I>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het6Het5
 ullmann_X	5584	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het6Het6
 ullmann_X	5585	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)ncc2ccccc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_Het6Phe
 ullmann_X	5586	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1Cc1cc2cocc2cc1I>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_PheHet5
 ullmann_X	5587	Cc1c(Cl)oc2cocc12.Clc1oc2cocc2c1CCc1c(I)ccc2ccncc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Iodide_PheHet6
-ullmann_X	5588	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het5
+ullmann_X	5588	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het5
 ullmann_X	5589	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het5Het5
 ullmann_X	5590	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het5Het6
 ullmann_X	5591	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het5Phe
-ullmann_X	5592	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het6
+ullmann_X	5592	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het6
 ullmann_X	5593	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het6Het5
 ullmann_X	5594	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het6Het6
 ullmann_X	5595	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_Het6Phe
 ullmann_X	5596	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_PheHet5
 ullmann_X	5597	Cc1c(Cl)oc2cocc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het5.X-Triflate_PheHet6
-ullmann_X	5598	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccccc1Br>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Phe
+ullmann_X	5598	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccccc1Br>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Phe
 ullmann_X	5599	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_PhePhe
-ullmann_X	5600	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Phe
+ullmann_X	5600	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Phe
 ullmann_X	5601	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_PhePhe
-ullmann_X	5602	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(Cl)oc3ccncc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Phe
+ullmann_X	5602	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(Cl)oc3ccncc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Phe
 ullmann_X	5603	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_PhePhe
-ullmann_X	5604	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cocc1Br>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het5
+ullmann_X	5604	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cocc1Br>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het5
 ullmann_X	5605	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het5Het5
 ullmann_X	5606	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het5Het6
 ullmann_X	5607	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het5Phe
-ullmann_X	5608	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnccc1Br>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het6
+ullmann_X	5608	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnccc1Br>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het6
 ullmann_X	5609	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1nc2cocc2cc1Br>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het6Het5
 ullmann_X	5610	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het6Het6
 ullmann_X	5611	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_Het6Phe
 ullmann_X	5612	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cc2cocc2cc1Br>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_PheHet5
 ullmann_X	5613	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Bromide_PheHet6
-ullmann_X	5614	Cc1c(Cl)oc2ccncc12.Clc1cocc1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het5
+ullmann_X	5614	Cc1c(Cl)oc2ccncc12.Clc1cocc1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het5
 ullmann_X	5615	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het5Het5
 ullmann_X	5616	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het5Het6
 ullmann_X	5617	Cc1c(Cl)oc2ccncc12.Clc1oc2ccccc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het5Phe
-ullmann_X	5618	Cc1c(Cl)oc2ccncc12.Clc1ccncc1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het6
+ullmann_X	5618	Cc1c(Cl)oc2ccncc12.Clc1ccncc1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het6
 ullmann_X	5619	Cc1c(Cl)oc2ccncc12.Clc1cc2cocc2nc1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het6Het5
 ullmann_X	5620	Cc1c(Cl)oc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het6Het6
 ullmann_X	5621	Cc1c(Cl)oc2ccncc12.Clc1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Chloride_Het6Phe
-ullmann_X	5622	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het5
+ullmann_X	5622	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het5
 ullmann_X	5623	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het5Het5
 ullmann_X	5624	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het5Het6
 ullmann_X	5625	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het5Phe
-ullmann_X	5626	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het6
+ullmann_X	5626	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het6
 ullmann_X	5627	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het6Het5
 ullmann_X	5628	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het6Het6
 ullmann_X	5629	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_Het6Phe
 ullmann_X	5630	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_PheHet5
 ullmann_X	5631	Cc1c(Cl)oc2ccncc12.Clc1oc2ccncc2c1CCc1c(I)ccc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Iodide_PheHet6
-ullmann_X	5632	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het5
+ullmann_X	5632	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het5
 ullmann_X	5633	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het5Het5
 ullmann_X	5634	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het5Het6
 ullmann_X	5635	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het5Phe
-ullmann_X	5636	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het6
+ullmann_X	5636	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het6
 ullmann_X	5637	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het6Het5
 ullmann_X	5638	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het6Het6
 ullmann_X	5639	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_Het6Phe
 ullmann_X	5640	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_PheHet5
 ullmann_X	5641	Cc1c(Cl)oc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Het6.X-Triflate_PheHet6
-ullmann_X	5642	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccccc1Br>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Phe
+ullmann_X	5642	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccccc1Br>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Phe
 ullmann_X	5643	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_PhePhe
-ullmann_X	5644	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Phe
+ullmann_X	5644	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Phe
 ullmann_X	5645	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_PhePhe
-ullmann_X	5646	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(Cl)oc3ccccc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Phe
+ullmann_X	5646	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Cl)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(Cl)oc3ccccc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Phe
 ullmann_X	5647	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_PhePhe
-ullmann_X	5648	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cocc1Br>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het5
+ullmann_X	5648	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cocc1Br>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het5
 ullmann_X	5649	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het5Het5
 ullmann_X	5650	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het5Het6
 ullmann_X	5651	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het5Phe
-ullmann_X	5652	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnccc1Br>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het6
+ullmann_X	5652	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnccc1Br>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het6
 ullmann_X	5653	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1nc2cocc2cc1Br>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het6Het5
 ullmann_X	5654	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het6Het6
 ullmann_X	5655	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_Het6Phe
 ullmann_X	5656	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cc2cocc2cc1Br>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_PheHet5
 ullmann_X	5657	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Bromide_PheHet6
-ullmann_X	5658	Cc1c(Cl)oc2ccccc12.Clc1cocc1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het5
+ullmann_X	5658	Cc1c(Cl)oc2ccccc12.Clc1cocc1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het5
 ullmann_X	5659	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Cl)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het5Het5
 ullmann_X	5660	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het5Het6
 ullmann_X	5661	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het5Phe
-ullmann_X	5662	Cc1c(Cl)oc2ccccc12.Clc1ccncc1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het6
+ullmann_X	5662	Cc1c(Cl)oc2ccccc12.Clc1ccncc1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het6
 ullmann_X	5663	Cc1c(Cl)oc2ccccc12.Clc1cc2cocc2nc1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het6Het5
 ullmann_X	5664	Cc1c(Cl)oc2ccccc12.Clc1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het6Het6
 ullmann_X	5665	Cc1c(Cl)oc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Chloride_Het6Phe
-ullmann_X	5666	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het5
+ullmann_X	5666	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het5
 ullmann_X	5667	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het5Het5
 ullmann_X	5668	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het5Het6
 ullmann_X	5669	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het5Phe
-ullmann_X	5670	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het6
+ullmann_X	5670	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het6
 ullmann_X	5671	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het6Het5
 ullmann_X	5672	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het6Het6
 ullmann_X	5673	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_Het6Phe
 ullmann_X	5674	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_PheHet5
 ullmann_X	5675	Cc1c(Cl)oc2ccccc12.Clc1oc2ccccc2c1CCc1c(I)ccc2ccncc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Iodide_PheHet6
-ullmann_X	5676	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het5
+ullmann_X	5676	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het5
 ullmann_X	5677	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het5Het5
 ullmann_X	5678	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het5Het6
 ullmann_X	5679	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het5Phe
-ullmann_X	5680	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het6
+ullmann_X	5680	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het6
 ullmann_X	5681	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het6Het5
 ullmann_X	5682	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het6Het6
 ullmann_X	5683	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_Het6Phe
 ullmann_X	5684	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_PheHet5
 ullmann_X	5685	Cc1c(Cl)oc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het5Phe.X-Triflate_PheHet6
-ullmann_X	5686	Cc1cnccc1Cl.Clc1ccncc1Cc1ccccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Phe
-ullmann_X	5687	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_PhePhe
-ullmann_X	5688	Cc1cnccc1Cl.Clc1ccncc1Cc1ccccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Phe
-ullmann_X	5689	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_PhePhe
-ullmann_X	5690	Cc1cnccc1Cl.O=S(=O)(Oc1cccc(Cc2cnccc2Cl)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2Cl)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Phe
-ullmann_X	5691	Cc1cnccc1Cl.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_PhePhe
-ullmann_X	5692	Cc1cnccc1Cl.Clc1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5
-ullmann_X	5693	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5Het5
-ullmann_X	5694	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5Het6
-ullmann_X	5695	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5Phe
-ullmann_X	5696	Cc1cnccc1Cl.Clc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6
-ullmann_X	5697	Cc1cnccc1Cl.Clc1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6Het5
-ullmann_X	5698	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6Het6
-ullmann_X	5699	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6Phe
-ullmann_X	5700	Cc1cnccc1Cl.Clc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_PheHet5
-ullmann_X	5701	Cc1cnccc1Cl.Clc1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_PheHet6
-ullmann_X	5702	Cc1cnccc1Cl.Clc1ccncc1Cc1cocc1Cl>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5
-ullmann_X	5703	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5Het5
-ullmann_X	5704	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5Het6
-ullmann_X	5705	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5Phe
-ullmann_X	5706	Cc1cnccc1Cl.Clc1ccncc1Cc1cnccc1Cl>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6
-ullmann_X	5707	Cc1cnccc1Cl.Clc1ccncc1Cc1nc2cocc2cc1Cl>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6Het5
-ullmann_X	5708	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6Het6
-ullmann_X	5709	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6Phe
-ullmann_X	5710	Cc1cnccc1Cl.Clc1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5
-ullmann_X	5711	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5Het5
-ullmann_X	5712	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5Het6
-ullmann_X	5713	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5Phe
-ullmann_X	5714	Cc1cnccc1Cl.Clc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6
-ullmann_X	5715	Cc1cnccc1Cl.Clc1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6Het5
-ullmann_X	5716	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6Het6
-ullmann_X	5717	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6Phe
-ullmann_X	5718	Cc1cnccc1Cl.Clc1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_PheHet5
-ullmann_X	5719	Cc1cnccc1Cl.Clc1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_PheHet6
-ullmann_X	5720	Cc1cnccc1Cl.O=S(=O)(Oc1cocc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5
-ullmann_X	5721	Cc1cnccc1Cl.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5Het5
-ullmann_X	5722	Cc1cnccc1Cl.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5Het6
-ullmann_X	5723	Cc1cnccc1Cl.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5Phe
-ullmann_X	5724	Cc1cnccc1Cl.O=S(=O)(Oc1ccncc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6
-ullmann_X	5725	Cc1cnccc1Cl.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6Het5
-ullmann_X	5726	Cc1cnccc1Cl.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6Het6
-ullmann_X	5727	Cc1cnccc1Cl.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6Phe
-ullmann_X	5728	Cc1cnccc1Cl.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_PheHet5
-ullmann_X	5729	Cc1cnccc1Cl.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_PheHet6
-ullmann_X	5730	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccccc1Br>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Phe
+ullmann_X	5686	Cc1cnccc1Cl.Clc1ccncc1Cc1ccccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Phe
+ullmann_X	5687	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_PhePhe
+ullmann_X	5688	Cc1cnccc1Cl.Clc1ccncc1Cc1ccccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Phe
+ullmann_X	5689	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_PhePhe
+ullmann_X	5690	Cc1cnccc1Cl.O=S(=O)(Oc1cccc(Cc2cnccc2Cl)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2Cl)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Phe
+ullmann_X	5691	Cc1cnccc1Cl.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_PhePhe
+ullmann_X	5692	Cc1cnccc1Cl.Clc1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5
+ullmann_X	5693	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5Het5
+ullmann_X	5694	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5Het6
+ullmann_X	5695	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het5Phe
+ullmann_X	5696	Cc1cnccc1Cl.Clc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6
+ullmann_X	5697	Cc1cnccc1Cl.Clc1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6Het5
+ullmann_X	5698	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6Het6
+ullmann_X	5699	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_Het6Phe
+ullmann_X	5700	Cc1cnccc1Cl.Clc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_PheHet5
+ullmann_X	5701	Cc1cnccc1Cl.Clc1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Bromide_PheHet6
+ullmann_X	5702	Cc1cnccc1Cl.Clc1ccncc1Cc1cocc1Cl>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5
+ullmann_X	5703	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5Het5
+ullmann_X	5704	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5Het6
+ullmann_X	5705	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het5Phe
+ullmann_X	5706	Cc1cnccc1Cl.Clc1ccncc1Cc1cnccc1Cl>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6
+ullmann_X	5707	Cc1cnccc1Cl.Clc1ccncc1Cc1nc2cocc2cc1Cl>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6Het5
+ullmann_X	5708	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6Het6
+ullmann_X	5709	Cc1cnccc1Cl.Clc1ccncc1Cc1c(Cl)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Chloride_Het6Phe
+ullmann_X	5710	Cc1cnccc1Cl.Clc1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5
+ullmann_X	5711	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5Het5
+ullmann_X	5712	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5Het6
+ullmann_X	5713	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het5Phe
+ullmann_X	5714	Cc1cnccc1Cl.Clc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6
+ullmann_X	5715	Cc1cnccc1Cl.Clc1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6Het5
+ullmann_X	5716	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6Het6
+ullmann_X	5717	Cc1cnccc1Cl.Clc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_Het6Phe
+ullmann_X	5718	Cc1cnccc1Cl.Clc1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_PheHet5
+ullmann_X	5719	Cc1cnccc1Cl.Clc1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Iodide_PheHet6
+ullmann_X	5720	Cc1cnccc1Cl.O=S(=O)(Oc1cocc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5
+ullmann_X	5721	Cc1cnccc1Cl.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5Het5
+ullmann_X	5722	Cc1cnccc1Cl.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5Het6
+ullmann_X	5723	Cc1cnccc1Cl.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het5Phe
+ullmann_X	5724	Cc1cnccc1Cl.O=S(=O)(Oc1ccncc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6
+ullmann_X	5725	Cc1cnccc1Cl.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6Het5
+ullmann_X	5726	Cc1cnccc1Cl.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6Het6
+ullmann_X	5727	Cc1cnccc1Cl.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_Het6Phe
+ullmann_X	5728	Cc1cnccc1Cl.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_PheHet5
+ullmann_X	5729	Cc1cnccc1Cl.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6.X-Triflate_PheHet6
+ullmann_X	5730	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccccc1Br>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Phe
 ullmann_X	5731	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_PhePhe
-ullmann_X	5732	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccccc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Phe
+ullmann_X	5732	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1ccccc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Phe
 ullmann_X	5733	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(I)ccc2ccccc12>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_PhePhe
-ullmann_X	5734	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Cl)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2Cl)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Phe
+ullmann_X	5734	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2Cl)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2Cl)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Phe
 ullmann_X	5735	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1ccc2ccccc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_PhePhe
-ullmann_X	5736	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cocc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het5
+ullmann_X	5736	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cocc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het5
 ullmann_X	5737	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Br)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het5Het5
 ullmann_X	5738	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Br)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het5Het6
 ullmann_X	5739	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Br)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het5Phe
-ullmann_X	5740	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnccc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het6
+ullmann_X	5740	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnccc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het6
 ullmann_X	5741	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het6Het5
 ullmann_X	5742	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het6Het6
 ullmann_X	5743	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_Het6Phe
 ullmann_X	5744	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_PheHet5
 ullmann_X	5745	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Bromide_PheHet6
-ullmann_X	5746	Cc1nc2cocc2cc1Cl.Clc1cocc1Cc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het5
+ullmann_X	5746	Cc1nc2cocc2cc1Cl.Clc1cocc1Cc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het5
 ullmann_X	5747	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Cl)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het5Het5
 ullmann_X	5748	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Cl)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het5Het6
 ullmann_X	5749	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Cl)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het5Phe
-ullmann_X	5750	Cc1nc2cocc2cc1Cl.Clc1ccncc1Cc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het6
+ullmann_X	5750	Cc1nc2cocc2cc1Cl.Clc1ccncc1Cc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het6
 ullmann_X	5751	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het6Het5
 ullmann_X	5752	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het6Het6
 ullmann_X	5753	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Chloride_Het6Phe
-ullmann_X	5754	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cocc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het5
+ullmann_X	5754	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cocc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het5
 ullmann_X	5755	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(I)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het5Het5
 ullmann_X	5756	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(I)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het5Het6
 ullmann_X	5757	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(I)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het5Phe
-ullmann_X	5758	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnccc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het6
+ullmann_X	5758	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cnccc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het6
 ullmann_X	5759	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het6Het5
 ullmann_X	5760	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(I)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het6Het6
 ullmann_X	5761	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1c(I)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_Het6Phe
 ullmann_X	5762	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1Cc1cc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_PheHet5
 ullmann_X	5763	Cc1nc2cocc2cc1Cl.Clc1cc2cocc2nc1CCc1c(I)ccc2ccncc12>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Iodide_PheHet6
-ullmann_X	5764	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het5
+ullmann_X	5764	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het5
 ullmann_X	5765	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1oc2cocc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het5Het5
 ullmann_X	5766	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1oc2ccncc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het5Het6
 ullmann_X	5767	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1oc2ccccc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het5Phe
-ullmann_X	5768	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het6
+ullmann_X	5768	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het6
 ullmann_X	5769	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het6Het5
 ullmann_X	5770	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1ncc2ccncc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het6Het6
 ullmann_X	5771	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1ncc2ccccc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_Het6Phe
 ullmann_X	5772	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_PheHet5
 ullmann_X	5773	Cc1nc2cocc2cc1Cl.O=S(=O)(Oc1ccc2ccncc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het5.X-Triflate_PheHet6
-ullmann_X	5774	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccccc1Br>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Phe
+ullmann_X	5774	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccccc1Br>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Phe
 ullmann_X	5775	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_PhePhe
-ullmann_X	5776	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Phe
+ullmann_X	5776	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1ccccc1I>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Phe
 ullmann_X	5777	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)ccc2ccccc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_PhePhe
-ullmann_X	5778	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(Cl)ncc3ccncc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Phe
+ullmann_X	5778	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(Cl)ncc3ccncc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Phe
 ullmann_X	5779	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_PhePhe
-ullmann_X	5780	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cocc1Br>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het5
+ullmann_X	5780	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cocc1Br>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het5
 ullmann_X	5781	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het5Het5
 ullmann_X	5782	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het5Het6
 ullmann_X	5783	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het5Phe
-ullmann_X	5784	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnccc1Br>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het6
+ullmann_X	5784	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnccc1Br>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het6
 ullmann_X	5785	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1nc2cocc2cc1Br>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het6Het5
 ullmann_X	5786	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het6Het6
 ullmann_X	5787	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_Het6Phe
 ullmann_X	5788	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cc2cocc2cc1Br>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_PheHet5
 ullmann_X	5789	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Bromide_PheHet6
-ullmann_X	5790	Cc1c(Cl)ncc2ccncc12.Clc1cocc1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het5
+ullmann_X	5790	Cc1c(Cl)ncc2ccncc12.Clc1cocc1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het5
 ullmann_X	5791	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Cl)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het5Het5
 ullmann_X	5792	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het5Het6
 ullmann_X	5793	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het5Phe
-ullmann_X	5794	Cc1c(Cl)ncc2ccncc12.Clc1ccncc1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het6
+ullmann_X	5794	Cc1c(Cl)ncc2ccncc12.Clc1ccncc1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het6
 ullmann_X	5795	Cc1c(Cl)ncc2ccncc12.Clc1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het6Het5
 ullmann_X	5796	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het6Het6
 ullmann_X	5797	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Chloride_Het6Phe
-ullmann_X	5798	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het5
+ullmann_X	5798	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cocc1I>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het5
 ullmann_X	5799	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het5Het5
 ullmann_X	5800	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het5Het6
 ullmann_X	5801	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het5Phe
-ullmann_X	5802	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het6
+ullmann_X	5802	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cnccc1I>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het6
 ullmann_X	5803	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het6Het5
 ullmann_X	5804	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het6Het6
 ullmann_X	5805	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_Het6Phe
 ullmann_X	5806	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_PheHet5
 ullmann_X	5807	Cc1c(Cl)ncc2ccncc12.Clc1ncc2ccncc2c1CCc1c(I)ccc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Iodide_PheHet6
-ullmann_X	5808	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het5
+ullmann_X	5808	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het5
 ullmann_X	5809	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het5Het5
 ullmann_X	5810	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het5Het6
 ullmann_X	5811	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het5Phe
-ullmann_X	5812	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het6
+ullmann_X	5812	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het6
 ullmann_X	5813	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het6Het5
 ullmann_X	5814	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het6Het6
 ullmann_X	5815	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_Het6Phe
 ullmann_X	5816	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(Cl)ncc2ccncc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_PheHet5
 ullmann_X	5817	Cc1c(Cl)ncc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Het6.X-Triflate_PheHet6
-ullmann_X	5818	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccccc1Br>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Phe
+ullmann_X	5818	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccccc1Br>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Phe
 ullmann_X	5819	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_PhePhe
-ullmann_X	5820	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Phe
+ullmann_X	5820	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1ccccc1I>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Phe
 ullmann_X	5821	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)ccc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_PhePhe
-ullmann_X	5822	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(Cl)ncc3ccccc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Phe
+ullmann_X	5822	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(Cl)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(Cl)ncc3ccccc23)c1	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Phe
 ullmann_X	5823	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_PhePhe
-ullmann_X	5824	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cocc1Br>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het5
+ullmann_X	5824	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cocc1Br>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het5
 ullmann_X	5825	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het5Het5
 ullmann_X	5826	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het5Het6
 ullmann_X	5827	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het5Phe
-ullmann_X	5828	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnccc1Br>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het6
+ullmann_X	5828	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnccc1Br>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het6
 ullmann_X	5829	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1nc2cocc2cc1Br>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het6Het5
 ullmann_X	5830	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het6Het6
 ullmann_X	5831	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_Het6Phe
 ullmann_X	5832	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cc2cocc2cc1Br>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_PheHet5
 ullmann_X	5833	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Bromide_PheHet6
-ullmann_X	5834	Cc1c(Cl)ncc2ccccc12.Clc1cocc1Cc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het5
+ullmann_X	5834	Cc1c(Cl)ncc2ccccc12.Clc1cocc1Cc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het5
 ullmann_X	5835	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Cl)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het5Het5
 ullmann_X	5836	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het5Het6
 ullmann_X	5837	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het5Phe
-ullmann_X	5838	Cc1c(Cl)ncc2ccccc12.Clc1ccncc1Cc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het6
+ullmann_X	5838	Cc1c(Cl)ncc2ccccc12.Clc1ccncc1Cc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het6
 ullmann_X	5839	Cc1c(Cl)ncc2ccccc12.Clc1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het6Het5
 ullmann_X	5840	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het6Het6
 ullmann_X	5841	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Chloride_Het6Phe
-ullmann_X	5842	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het5
+ullmann_X	5842	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cocc1I>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het5
 ullmann_X	5843	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het5Het5
 ullmann_X	5844	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het5Het6
 ullmann_X	5845	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het5Phe
-ullmann_X	5846	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het6
+ullmann_X	5846	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cnccc1I>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het6
 ullmann_X	5847	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het6Het5
 ullmann_X	5848	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het6Het6
 ullmann_X	5849	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_Het6Phe
 ullmann_X	5850	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_PheHet5
 ullmann_X	5851	Cc1c(Cl)ncc2ccccc12.Clc1ncc2ccccc2c1CCc1c(I)ccc2ccncc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Iodide_PheHet6
-ullmann_X	5852	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het5
+ullmann_X	5852	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het5
 ullmann_X	5853	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het5Het5
 ullmann_X	5854	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het5Het6
 ullmann_X	5855	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het5Phe
-ullmann_X	5856	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het6
+ullmann_X	5856	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het6
 ullmann_X	5857	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het6Het5
 ullmann_X	5858	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het6Het6
 ullmann_X	5859	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_Het6Phe
 ullmann_X	5860	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_PheHet5
 ullmann_X	5861	Cc1c(Cl)ncc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Chloride_Het6Phe.X-Triflate_PheHet6
-ullmann_X	5862	Cc1cocc1I.Brc1ccccc1Cc1cocc1I>>Cc1cocc1c1ccccc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Phe
-ullmann_X	5863	Cc1cocc1I.Brc1ccc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_PhePhe
-ullmann_X	5864	Cc1cocc1I.Ic1ccccc1Cc1cocc1I>>Cc1cocc1c1ccccc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Phe
-ullmann_X	5865	Cc1cocc1I.Ic1cocc1Cc1c(I)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_PhePhe
-ullmann_X	5866	Cc1cocc1I.O=S(=O)(Oc1cccc(Cc2cocc2I)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Phe
-ullmann_X	5867	Cc1cocc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_PhePhe
-ullmann_X	5868	Cc1cocc1I.Brc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5
-ullmann_X	5869	Cc1cocc1I.Brc1oc2cocc2c1Cc1cocc1I>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5Het5
-ullmann_X	5870	Cc1cocc1I.Brc1oc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5Het6
-ullmann_X	5871	Cc1cocc1I.Brc1oc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5Phe
-ullmann_X	5872	Cc1cocc1I.Brc1ccncc1Cc1cocc1I>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6
-ullmann_X	5873	Cc1cocc1I.Brc1cc2cocc2nc1Cc1cocc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6Het5
-ullmann_X	5874	Cc1cocc1I.Brc1ncc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6Het6
-ullmann_X	5875	Cc1cocc1I.Brc1ncc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6Phe
-ullmann_X	5876	Cc1cocc1I.Brc1cc2cocc2cc1Cc1cocc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_PheHet5
-ullmann_X	5877	Cc1cocc1I.Brc1ccc2ccncc2c1CCc1cocc1I>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_PheHet6
-ullmann_X	5878	Cc1cocc1I.Clc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5
-ullmann_X	5879	Cc1cocc1I.Clc1oc2cocc2c1Cc1cocc1I>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5Het5
-ullmann_X	5880	Cc1cocc1I.Clc1oc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5Het6
-ullmann_X	5881	Cc1cocc1I.Clc1oc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5Phe
-ullmann_X	5882	Cc1cocc1I.Clc1ccncc1Cc1cocc1I>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6
-ullmann_X	5883	Cc1cocc1I.Clc1cc2cocc2nc1Cc1cocc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6Het5
-ullmann_X	5884	Cc1cocc1I.Clc1ncc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6Het6
-ullmann_X	5885	Cc1cocc1I.Clc1ncc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6Phe
-ullmann_X	5886	Cc1cocc1I.Ic1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5
-ullmann_X	5887	Cc1cocc1I.Ic1cocc1Cc1c(I)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5Het5
-ullmann_X	5888	Cc1cocc1I.Ic1cocc1Cc1c(I)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5Het6
-ullmann_X	5889	Cc1cocc1I.Ic1cocc1Cc1c(I)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5Phe
-ullmann_X	5890	Cc1cocc1I.Ic1ccncc1Cc1cocc1I>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6
-ullmann_X	5891	Cc1cocc1I.Ic1cocc1Cc1nc2cocc2cc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6Het5
-ullmann_X	5892	Cc1cocc1I.Ic1cocc1Cc1c(I)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6Het6
-ullmann_X	5893	Cc1cocc1I.Ic1cocc1Cc1c(I)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6Phe
-ullmann_X	5894	Cc1cocc1I.Ic1cocc1Cc1cc2cocc2cc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_PheHet5
-ullmann_X	5895	Cc1cocc1I.Ic1cocc1CCc1c(I)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_PheHet6
-ullmann_X	5896	Cc1cocc1I.O=S(=O)(Oc1cocc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5
-ullmann_X	5897	Cc1cocc1I.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5Het5
-ullmann_X	5898	Cc1cocc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5Het6
-ullmann_X	5899	Cc1cocc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5Phe
-ullmann_X	5900	Cc1cocc1I.O=S(=O)(Oc1ccncc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6
-ullmann_X	5901	Cc1cocc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6Het5
-ullmann_X	5902	Cc1cocc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6Het6
-ullmann_X	5903	Cc1cocc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6Phe
-ullmann_X	5904	Cc1cocc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_PheHet5
-ullmann_X	5905	Cc1cocc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_PheHet6
-ullmann_X	5906	Cc1c(I)oc2cocc12.Brc1ccccc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Phe
+ullmann_X	5862	Cc1cocc1I.Brc1ccccc1Cc1cocc1I>>Cc1cocc1c1ccccc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Phe
+ullmann_X	5863	Cc1cocc1I.Brc1ccc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_PhePhe
+ullmann_X	5864	Cc1cocc1I.Ic1ccccc1Cc1cocc1I>>Cc1cocc1c1ccccc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Phe
+ullmann_X	5865	Cc1cocc1I.Ic1cocc1Cc1c(I)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_PhePhe
+ullmann_X	5866	Cc1cocc1I.O=S(=O)(Oc1cccc(Cc2cocc2I)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Phe
+ullmann_X	5867	Cc1cocc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_PhePhe
+ullmann_X	5868	Cc1cocc1I.Brc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5
+ullmann_X	5869	Cc1cocc1I.Brc1oc2cocc2c1Cc1cocc1I>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5Het5
+ullmann_X	5870	Cc1cocc1I.Brc1oc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5Het6
+ullmann_X	5871	Cc1cocc1I.Brc1oc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het5Phe
+ullmann_X	5872	Cc1cocc1I.Brc1ccncc1Cc1cocc1I>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6
+ullmann_X	5873	Cc1cocc1I.Brc1cc2cocc2nc1Cc1cocc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6Het5
+ullmann_X	5874	Cc1cocc1I.Brc1ncc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6Het6
+ullmann_X	5875	Cc1cocc1I.Brc1ncc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_Het6Phe
+ullmann_X	5876	Cc1cocc1I.Brc1cc2cocc2cc1Cc1cocc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_PheHet5
+ullmann_X	5877	Cc1cocc1I.Brc1ccc2ccncc2c1CCc1cocc1I>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Bromide_PheHet6
+ullmann_X	5878	Cc1cocc1I.Clc1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5
+ullmann_X	5879	Cc1cocc1I.Clc1oc2cocc2c1Cc1cocc1I>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5Het5
+ullmann_X	5880	Cc1cocc1I.Clc1oc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5Het6
+ullmann_X	5881	Cc1cocc1I.Clc1oc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het5Phe
+ullmann_X	5882	Cc1cocc1I.Clc1ccncc1Cc1cocc1I>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6
+ullmann_X	5883	Cc1cocc1I.Clc1cc2cocc2nc1Cc1cocc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6Het5
+ullmann_X	5884	Cc1cocc1I.Clc1ncc2ccncc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6Het6
+ullmann_X	5885	Cc1cocc1I.Clc1ncc2ccccc2c1Cc1cocc1I>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Chloride_Het6Phe
+ullmann_X	5886	Cc1cocc1I.Ic1cocc1Cc1cocc1I>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5
+ullmann_X	5887	Cc1cocc1I.Ic1cocc1Cc1c(I)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5Het5
+ullmann_X	5888	Cc1cocc1I.Ic1cocc1Cc1c(I)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5Het6
+ullmann_X	5889	Cc1cocc1I.Ic1cocc1Cc1c(I)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het5Phe
+ullmann_X	5890	Cc1cocc1I.Ic1ccncc1Cc1cocc1I>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6
+ullmann_X	5891	Cc1cocc1I.Ic1cocc1Cc1nc2cocc2cc1I>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6Het5
+ullmann_X	5892	Cc1cocc1I.Ic1cocc1Cc1c(I)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6Het6
+ullmann_X	5893	Cc1cocc1I.Ic1cocc1Cc1c(I)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_Het6Phe
+ullmann_X	5894	Cc1cocc1I.Ic1cocc1Cc1cc2cocc2cc1I>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_PheHet5
+ullmann_X	5895	Cc1cocc1I.Ic1cocc1CCc1c(I)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Iodide_PheHet6
+ullmann_X	5896	Cc1cocc1I.O=S(=O)(Oc1cocc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5
+ullmann_X	5897	Cc1cocc1I.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5Het5
+ullmann_X	5898	Cc1cocc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5Het6
+ullmann_X	5899	Cc1cocc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het5Phe
+ullmann_X	5900	Cc1cocc1I.O=S(=O)(Oc1ccncc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6
+ullmann_X	5901	Cc1cocc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6Het5
+ullmann_X	5902	Cc1cocc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6Het6
+ullmann_X	5903	Cc1cocc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_Het6Phe
+ullmann_X	5904	Cc1cocc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_PheHet5
+ullmann_X	5905	Cc1cocc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1cocc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5.X-Triflate_PheHet6
+ullmann_X	5906	Cc1c(I)oc2cocc12.Brc1ccccc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Phe
 ullmann_X	5907	Cc1c(I)oc2cocc12.Brc1ccc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_PhePhe
-ullmann_X	5908	Cc1c(I)oc2cocc12.Ic1ccccc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Phe
+ullmann_X	5908	Cc1c(I)oc2cocc12.Ic1ccccc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Phe
 ullmann_X	5909	Cc1c(I)oc2cocc12.Ic1ccc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_PhePhe
-ullmann_X	5910	Cc1c(I)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(I)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(I)oc3cocc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Phe
+ullmann_X	5910	Cc1c(I)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(I)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(I)oc3cocc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Phe
 ullmann_X	5911	Cc1c(I)oc2cocc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_PhePhe
-ullmann_X	5912	Cc1c(I)oc2cocc12.Brc1cocc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het5
+ullmann_X	5912	Cc1c(I)oc2cocc12.Brc1cocc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het5
 ullmann_X	5913	Cc1c(I)oc2cocc12.Brc1oc2cocc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het5Het5
 ullmann_X	5914	Cc1c(I)oc2cocc12.Brc1oc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het5Het6
 ullmann_X	5915	Cc1c(I)oc2cocc12.Brc1oc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het5Phe
-ullmann_X	5916	Cc1c(I)oc2cocc12.Brc1ccncc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het6
+ullmann_X	5916	Cc1c(I)oc2cocc12.Brc1ccncc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het6
 ullmann_X	5917	Cc1c(I)oc2cocc12.Brc1cc2cocc2nc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het6Het5
 ullmann_X	5918	Cc1c(I)oc2cocc12.Brc1ncc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het6Het6
 ullmann_X	5919	Cc1c(I)oc2cocc12.Brc1ncc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_Het6Phe
 ullmann_X	5920	Cc1c(I)oc2cocc12.Brc1cc2cocc2cc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_PheHet5
 ullmann_X	5921	Cc1c(I)oc2cocc12.Brc1ccc2ccncc2c1CCc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Bromide_PheHet6
-ullmann_X	5922	Cc1c(I)oc2cocc12.Clc1cocc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het5
+ullmann_X	5922	Cc1c(I)oc2cocc12.Clc1cocc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het5
 ullmann_X	5923	Cc1c(I)oc2cocc12.Clc1oc2cocc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het5Het5
 ullmann_X	5924	Cc1c(I)oc2cocc12.Clc1oc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het5Het6
 ullmann_X	5925	Cc1c(I)oc2cocc12.Clc1oc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het5Phe
-ullmann_X	5926	Cc1c(I)oc2cocc12.Clc1ccncc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het6
+ullmann_X	5926	Cc1c(I)oc2cocc12.Clc1ccncc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het6
 ullmann_X	5927	Cc1c(I)oc2cocc12.Clc1cc2cocc2nc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het6Het5
 ullmann_X	5928	Cc1c(I)oc2cocc12.Clc1ncc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het6Het6
 ullmann_X	5929	Cc1c(I)oc2cocc12.Clc1ncc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Chloride_Het6Phe
-ullmann_X	5930	Cc1c(I)oc2cocc12.Ic1cocc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het5
+ullmann_X	5930	Cc1c(I)oc2cocc12.Ic1cocc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het5
 ullmann_X	5931	Cc1c(I)oc2cocc12.Ic1oc2cocc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het5Het5
 ullmann_X	5932	Cc1c(I)oc2cocc12.Ic1oc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het5Het6
 ullmann_X	5933	Cc1c(I)oc2cocc12.Ic1oc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het5Phe
-ullmann_X	5934	Cc1c(I)oc2cocc12.Ic1ccncc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het6
+ullmann_X	5934	Cc1c(I)oc2cocc12.Ic1ccncc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het6
 ullmann_X	5935	Cc1c(I)oc2cocc12.Ic1cc2cocc2nc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het6Het5
 ullmann_X	5936	Cc1c(I)oc2cocc12.Ic1ncc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het6Het6
 ullmann_X	5937	Cc1c(I)oc2cocc12.Ic1ncc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_Het6Phe
 ullmann_X	5938	Cc1c(I)oc2cocc12.Ic1cc2cocc2cc1Cc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_PheHet5
 ullmann_X	5939	Cc1c(I)oc2cocc12.Ic1ccc2ccncc2c1CCc1c(I)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Iodide_PheHet6
-ullmann_X	5940	Cc1c(I)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het5
+ullmann_X	5940	Cc1c(I)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het5
 ullmann_X	5941	Cc1c(I)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het5Het5
 ullmann_X	5942	Cc1c(I)oc2cocc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het5Het6
 ullmann_X	5943	Cc1c(I)oc2cocc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het5Phe
-ullmann_X	5944	Cc1c(I)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het6
+ullmann_X	5944	Cc1c(I)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het6
 ullmann_X	5945	Cc1c(I)oc2cocc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het6Het5
 ullmann_X	5946	Cc1c(I)oc2cocc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het6Het6
 ullmann_X	5947	Cc1c(I)oc2cocc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_Het6Phe
 ullmann_X	5948	Cc1c(I)oc2cocc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(I)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_PheHet5
 ullmann_X	5949	Cc1c(I)oc2cocc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het5.X-Triflate_PheHet6
-ullmann_X	5950	Cc1c(I)oc2ccncc12.Brc1ccccc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Phe
+ullmann_X	5950	Cc1c(I)oc2ccncc12.Brc1ccccc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Phe
 ullmann_X	5951	Cc1c(I)oc2ccncc12.Brc1ccc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_PhePhe
-ullmann_X	5952	Cc1c(I)oc2ccncc12.Ic1ccccc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Phe
+ullmann_X	5952	Cc1c(I)oc2ccncc12.Ic1ccccc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Phe
 ullmann_X	5953	Cc1c(I)oc2ccncc12.Ic1ccc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_PhePhe
-ullmann_X	5954	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(I)oc3ccncc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Phe
+ullmann_X	5954	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(I)oc3ccncc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Phe
 ullmann_X	5955	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_PhePhe
-ullmann_X	5956	Cc1c(I)oc2ccncc12.Brc1cocc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het5
+ullmann_X	5956	Cc1c(I)oc2ccncc12.Brc1cocc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het5
 ullmann_X	5957	Cc1c(I)oc2ccncc12.Brc1oc2cocc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het5Het5
 ullmann_X	5958	Cc1c(I)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het5Het6
 ullmann_X	5959	Cc1c(I)oc2ccncc12.Brc1oc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het5Phe
-ullmann_X	5960	Cc1c(I)oc2ccncc12.Brc1ccncc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het6
+ullmann_X	5960	Cc1c(I)oc2ccncc12.Brc1ccncc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het6
 ullmann_X	5961	Cc1c(I)oc2ccncc12.Brc1cc2cocc2nc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het6Het5
 ullmann_X	5962	Cc1c(I)oc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het6Het6
 ullmann_X	5963	Cc1c(I)oc2ccncc12.Brc1ncc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_Het6Phe
 ullmann_X	5964	Cc1c(I)oc2ccncc12.Brc1cc2cocc2cc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_PheHet5
 ullmann_X	5965	Cc1c(I)oc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Bromide_PheHet6
-ullmann_X	5966	Cc1c(I)oc2ccncc12.Clc1cocc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het5
+ullmann_X	5966	Cc1c(I)oc2ccncc12.Clc1cocc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het5
 ullmann_X	5967	Cc1c(I)oc2ccncc12.Clc1oc2cocc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het5Het5
 ullmann_X	5968	Cc1c(I)oc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het5Het6
 ullmann_X	5969	Cc1c(I)oc2ccncc12.Clc1oc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het5Phe
-ullmann_X	5970	Cc1c(I)oc2ccncc12.Clc1ccncc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het6
+ullmann_X	5970	Cc1c(I)oc2ccncc12.Clc1ccncc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het6
 ullmann_X	5971	Cc1c(I)oc2ccncc12.Clc1cc2cocc2nc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het6Het5
 ullmann_X	5972	Cc1c(I)oc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het6Het6
 ullmann_X	5973	Cc1c(I)oc2ccncc12.Clc1ncc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Chloride_Het6Phe
-ullmann_X	5974	Cc1c(I)oc2ccncc12.Ic1cocc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het5
+ullmann_X	5974	Cc1c(I)oc2ccncc12.Ic1cocc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het5
 ullmann_X	5975	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het5Het5
 ullmann_X	5976	Cc1c(I)oc2ccncc12.Ic1oc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het5Het6
 ullmann_X	5977	Cc1c(I)oc2ccncc12.Ic1oc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het5Phe
-ullmann_X	5978	Cc1c(I)oc2ccncc12.Ic1ccncc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het6
+ullmann_X	5978	Cc1c(I)oc2ccncc12.Ic1ccncc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het6
 ullmann_X	5979	Cc1c(I)oc2ccncc12.Ic1cc2cocc2nc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het6Het5
 ullmann_X	5980	Cc1c(I)oc2ccncc12.Ic1ncc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het6Het6
 ullmann_X	5981	Cc1c(I)oc2ccncc12.Ic1ncc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_Het6Phe
 ullmann_X	5982	Cc1c(I)oc2ccncc12.Ic1cc2cocc2cc1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_PheHet5
 ullmann_X	5983	Cc1c(I)oc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Iodide_PheHet6
-ullmann_X	5984	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het5
+ullmann_X	5984	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het5
 ullmann_X	5985	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het5Het5
 ullmann_X	5986	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het5Het6
 ullmann_X	5987	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het5Phe
-ullmann_X	5988	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het6
+ullmann_X	5988	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het6
 ullmann_X	5989	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het6Het5
 ullmann_X	5990	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het6Het6
 ullmann_X	5991	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_Het6Phe
 ullmann_X	5992	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(I)oc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_PheHet5
 ullmann_X	5993	Cc1c(I)oc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Het6.X-Triflate_PheHet6
-ullmann_X	5994	Cc1c(I)oc2ccccc12.Brc1ccccc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Phe
+ullmann_X	5994	Cc1c(I)oc2ccccc12.Brc1ccccc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Phe
 ullmann_X	5995	Cc1c(I)oc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_PhePhe
-ullmann_X	5996	Cc1c(I)oc2ccccc12.Ic1ccccc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Phe
+ullmann_X	5996	Cc1c(I)oc2ccccc12.Ic1ccccc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Phe
 ullmann_X	5997	Cc1c(I)oc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_PhePhe
-ullmann_X	5998	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(I)oc3ccccc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Phe
+ullmann_X	5998	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(I)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(I)oc3ccccc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Phe
 ullmann_X	5999	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_PhePhe
-ullmann_X	6000	Cc1c(I)oc2ccccc12.Brc1cocc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het5
+ullmann_X	6000	Cc1c(I)oc2ccccc12.Brc1cocc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het5
 ullmann_X	6001	Cc1c(I)oc2ccccc12.Brc1oc2cocc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het5Het5
 ullmann_X	6002	Cc1c(I)oc2ccccc12.Brc1oc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het5Het6
 ullmann_X	6003	Cc1c(I)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het5Phe
-ullmann_X	6004	Cc1c(I)oc2ccccc12.Brc1ccncc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het6
+ullmann_X	6004	Cc1c(I)oc2ccccc12.Brc1ccncc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het6
 ullmann_X	6005	Cc1c(I)oc2ccccc12.Brc1cc2cocc2nc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het6Het5
 ullmann_X	6006	Cc1c(I)oc2ccccc12.Brc1ncc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het6Het6
 ullmann_X	6007	Cc1c(I)oc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_Het6Phe
 ullmann_X	6008	Cc1c(I)oc2ccccc12.Brc1cc2cocc2cc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_PheHet5
 ullmann_X	6009	Cc1c(I)oc2ccccc12.Brc1ccc2ccncc2c1CCc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Bromide_PheHet6
-ullmann_X	6010	Cc1c(I)oc2ccccc12.Clc1cocc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het5
+ullmann_X	6010	Cc1c(I)oc2ccccc12.Clc1cocc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het5
 ullmann_X	6011	Cc1c(I)oc2ccccc12.Clc1oc2cocc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het5Het5
 ullmann_X	6012	Cc1c(I)oc2ccccc12.Clc1oc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het5Het6
 ullmann_X	6013	Cc1c(I)oc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het5Phe
-ullmann_X	6014	Cc1c(I)oc2ccccc12.Clc1ccncc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het6
+ullmann_X	6014	Cc1c(I)oc2ccccc12.Clc1ccncc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het6
 ullmann_X	6015	Cc1c(I)oc2ccccc12.Clc1cc2cocc2nc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het6Het5
 ullmann_X	6016	Cc1c(I)oc2ccccc12.Clc1ncc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het6Het6
 ullmann_X	6017	Cc1c(I)oc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Chloride_Het6Phe
-ullmann_X	6018	Cc1c(I)oc2ccccc12.Ic1cocc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het5
+ullmann_X	6018	Cc1c(I)oc2ccccc12.Ic1cocc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het5
 ullmann_X	6019	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het5Het5
 ullmann_X	6020	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het5Het6
 ullmann_X	6021	Cc1c(I)oc2ccccc12.Ic1oc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het5Phe
-ullmann_X	6022	Cc1c(I)oc2ccccc12.Ic1ccncc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het6
+ullmann_X	6022	Cc1c(I)oc2ccccc12.Ic1ccncc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het6
 ullmann_X	6023	Cc1c(I)oc2ccccc12.Ic1cc2cocc2nc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het6Het5
 ullmann_X	6024	Cc1c(I)oc2ccccc12.Ic1ncc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het6Het6
 ullmann_X	6025	Cc1c(I)oc2ccccc12.Ic1ncc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_Het6Phe
 ullmann_X	6026	Cc1c(I)oc2ccccc12.Ic1cc2cocc2cc1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_PheHet5
 ullmann_X	6027	Cc1c(I)oc2ccccc12.Ic1ccc2ccncc2c1CCc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Iodide_PheHet6
-ullmann_X	6028	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het5
+ullmann_X	6028	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het5
 ullmann_X	6029	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het5Het5
 ullmann_X	6030	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het5Het6
 ullmann_X	6031	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het5Phe
-ullmann_X	6032	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het6
+ullmann_X	6032	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het6
 ullmann_X	6033	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het6Het5
 ullmann_X	6034	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het6Het6
 ullmann_X	6035	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_Het6Phe
 ullmann_X	6036	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_PheHet5
 ullmann_X	6037	Cc1c(I)oc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het5Phe.X-Triflate_PheHet6
-ullmann_X	6038	Cc1cnccc1I.Brc1ccccc1Cc1cnccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Phe
-ullmann_X	6039	Cc1cnccc1I.Brc1ccc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_PhePhe
-ullmann_X	6040	Cc1cnccc1I.Ic1ccccc1Cc1cnccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Phe
-ullmann_X	6041	Cc1cnccc1I.Ic1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_PhePhe
-ullmann_X	6042	Cc1cnccc1I.O=S(=O)(Oc1cccc(Cc2cnccc2I)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Phe
-ullmann_X	6043	Cc1cnccc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_PhePhe
-ullmann_X	6044	Cc1cnccc1I.Brc1cocc1Cc1cnccc1I>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5
-ullmann_X	6045	Cc1cnccc1I.Brc1oc2cocc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5Het5
-ullmann_X	6046	Cc1cnccc1I.Brc1oc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5Het6
-ullmann_X	6047	Cc1cnccc1I.Brc1oc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5Phe
-ullmann_X	6048	Cc1cnccc1I.Brc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6
-ullmann_X	6049	Cc1cnccc1I.Brc1cc2cocc2nc1Cc1cnccc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6Het5
-ullmann_X	6050	Cc1cnccc1I.Brc1ncc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6Het6
-ullmann_X	6051	Cc1cnccc1I.Brc1ncc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6Phe
-ullmann_X	6052	Cc1cnccc1I.Brc1cc2cocc2cc1Cc1cnccc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_PheHet5
-ullmann_X	6053	Cc1cnccc1I.Brc1ccc2ccncc2c1CCc1cnccc1I>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_PheHet6
-ullmann_X	6054	Cc1cnccc1I.Clc1cocc1Cc1cnccc1I>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5
-ullmann_X	6055	Cc1cnccc1I.Clc1oc2cocc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5Het5
-ullmann_X	6056	Cc1cnccc1I.Clc1oc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5Het6
-ullmann_X	6057	Cc1cnccc1I.Clc1oc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5Phe
-ullmann_X	6058	Cc1cnccc1I.Clc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6
-ullmann_X	6059	Cc1cnccc1I.Clc1cc2cocc2nc1Cc1cnccc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6Het5
-ullmann_X	6060	Cc1cnccc1I.Clc1ncc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6Het6
-ullmann_X	6061	Cc1cnccc1I.Clc1ncc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6Phe
-ullmann_X	6062	Cc1cnccc1I.Ic1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5
-ullmann_X	6063	Cc1cnccc1I.Ic1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5Het5
-ullmann_X	6064	Cc1cnccc1I.Ic1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5Het6
-ullmann_X	6065	Cc1cnccc1I.Ic1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5Phe
-ullmann_X	6066	Cc1cnccc1I.Ic1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6
-ullmann_X	6067	Cc1cnccc1I.Ic1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6Het5
-ullmann_X	6068	Cc1cnccc1I.Ic1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6Het6
-ullmann_X	6069	Cc1cnccc1I.Ic1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6Phe
-ullmann_X	6070	Cc1cnccc1I.Ic1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_PheHet5
-ullmann_X	6071	Cc1cnccc1I.Ic1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_PheHet6
-ullmann_X	6072	Cc1cnccc1I.O=S(=O)(Oc1cocc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5
-ullmann_X	6073	Cc1cnccc1I.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5Het5
-ullmann_X	6074	Cc1cnccc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5Het6
-ullmann_X	6075	Cc1cnccc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5Phe
-ullmann_X	6076	Cc1cnccc1I.O=S(=O)(Oc1ccncc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6
-ullmann_X	6077	Cc1cnccc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6Het5
-ullmann_X	6078	Cc1cnccc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6Het6
-ullmann_X	6079	Cc1cnccc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6Phe
-ullmann_X	6080	Cc1cnccc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_PheHet5
-ullmann_X	6081	Cc1cnccc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_PheHet6
-ullmann_X	6082	Cc1nc2cocc2cc1I.Brc1ccccc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Phe
+ullmann_X	6038	Cc1cnccc1I.Brc1ccccc1Cc1cnccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Phe
+ullmann_X	6039	Cc1cnccc1I.Brc1ccc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_PhePhe
+ullmann_X	6040	Cc1cnccc1I.Ic1ccccc1Cc1cnccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Phe
+ullmann_X	6041	Cc1cnccc1I.Ic1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_PhePhe
+ullmann_X	6042	Cc1cnccc1I.O=S(=O)(Oc1cccc(Cc2cnccc2I)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Phe
+ullmann_X	6043	Cc1cnccc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_PhePhe
+ullmann_X	6044	Cc1cnccc1I.Brc1cocc1Cc1cnccc1I>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5
+ullmann_X	6045	Cc1cnccc1I.Brc1oc2cocc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5Het5
+ullmann_X	6046	Cc1cnccc1I.Brc1oc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5Het6
+ullmann_X	6047	Cc1cnccc1I.Brc1oc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het5Phe
+ullmann_X	6048	Cc1cnccc1I.Brc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6
+ullmann_X	6049	Cc1cnccc1I.Brc1cc2cocc2nc1Cc1cnccc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6Het5
+ullmann_X	6050	Cc1cnccc1I.Brc1ncc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6Het6
+ullmann_X	6051	Cc1cnccc1I.Brc1ncc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_Het6Phe
+ullmann_X	6052	Cc1cnccc1I.Brc1cc2cocc2cc1Cc1cnccc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_PheHet5
+ullmann_X	6053	Cc1cnccc1I.Brc1ccc2ccncc2c1CCc1cnccc1I>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Bromide_PheHet6
+ullmann_X	6054	Cc1cnccc1I.Clc1cocc1Cc1cnccc1I>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5
+ullmann_X	6055	Cc1cnccc1I.Clc1oc2cocc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5Het5
+ullmann_X	6056	Cc1cnccc1I.Clc1oc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5Het6
+ullmann_X	6057	Cc1cnccc1I.Clc1oc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het5Phe
+ullmann_X	6058	Cc1cnccc1I.Clc1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6
+ullmann_X	6059	Cc1cnccc1I.Clc1cc2cocc2nc1Cc1cnccc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6Het5
+ullmann_X	6060	Cc1cnccc1I.Clc1ncc2ccncc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6Het6
+ullmann_X	6061	Cc1cnccc1I.Clc1ncc2ccccc2c1Cc1cnccc1I>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Chloride_Het6Phe
+ullmann_X	6062	Cc1cnccc1I.Ic1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5
+ullmann_X	6063	Cc1cnccc1I.Ic1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5Het5
+ullmann_X	6064	Cc1cnccc1I.Ic1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5Het6
+ullmann_X	6065	Cc1cnccc1I.Ic1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het5Phe
+ullmann_X	6066	Cc1cnccc1I.Ic1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6
+ullmann_X	6067	Cc1cnccc1I.Ic1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6Het5
+ullmann_X	6068	Cc1cnccc1I.Ic1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6Het6
+ullmann_X	6069	Cc1cnccc1I.Ic1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_Het6Phe
+ullmann_X	6070	Cc1cnccc1I.Ic1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_PheHet5
+ullmann_X	6071	Cc1cnccc1I.Ic1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Iodide_PheHet6
+ullmann_X	6072	Cc1cnccc1I.O=S(=O)(Oc1cocc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5
+ullmann_X	6073	Cc1cnccc1I.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5Het5
+ullmann_X	6074	Cc1cnccc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5Het6
+ullmann_X	6075	Cc1cnccc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het5Phe
+ullmann_X	6076	Cc1cnccc1I.O=S(=O)(Oc1ccncc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6
+ullmann_X	6077	Cc1cnccc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6Het5
+ullmann_X	6078	Cc1cnccc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6Het6
+ullmann_X	6079	Cc1cnccc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_Het6Phe
+ullmann_X	6080	Cc1cnccc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_PheHet5
+ullmann_X	6081	Cc1cnccc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6.X-Triflate_PheHet6
+ullmann_X	6082	Cc1nc2cocc2cc1I.Brc1ccccc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Phe
 ullmann_X	6083	Cc1nc2cocc2cc1I.Brc1ccc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_PhePhe
-ullmann_X	6084	Cc1nc2cocc2cc1I.Ic1ccccc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Phe
+ullmann_X	6084	Cc1nc2cocc2cc1I.Ic1ccccc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Phe
 ullmann_X	6085	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1c(I)ccc2ccccc12>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_PhePhe
-ullmann_X	6086	Cc1nc2cocc2cc1I.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2I)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Phe
+ullmann_X	6086	Cc1nc2cocc2cc1I.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2I)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Phe
 ullmann_X	6087	Cc1nc2cocc2cc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_PhePhe
-ullmann_X	6088	Cc1nc2cocc2cc1I.Brc1cocc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het5
+ullmann_X	6088	Cc1nc2cocc2cc1I.Brc1cocc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het5
 ullmann_X	6089	Cc1nc2cocc2cc1I.Brc1oc2cocc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het5Het5
 ullmann_X	6090	Cc1nc2cocc2cc1I.Brc1oc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het5Het6
 ullmann_X	6091	Cc1nc2cocc2cc1I.Brc1oc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het5Phe
-ullmann_X	6092	Cc1nc2cocc2cc1I.Brc1ccncc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het6
+ullmann_X	6092	Cc1nc2cocc2cc1I.Brc1ccncc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het6
 ullmann_X	6093	Cc1nc2cocc2cc1I.Brc1cc2cocc2nc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het6Het5
 ullmann_X	6094	Cc1nc2cocc2cc1I.Brc1ncc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het6Het6
 ullmann_X	6095	Cc1nc2cocc2cc1I.Brc1ncc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_Het6Phe
 ullmann_X	6096	Cc1nc2cocc2cc1I.Brc1cc2cocc2cc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_PheHet5
 ullmann_X	6097	Cc1nc2cocc2cc1I.Brc1ccc2ccncc2c1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Bromide_PheHet6
-ullmann_X	6098	Cc1nc2cocc2cc1I.Clc1cocc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het5
+ullmann_X	6098	Cc1nc2cocc2cc1I.Clc1cocc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het5
 ullmann_X	6099	Cc1nc2cocc2cc1I.Clc1oc2cocc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het5Het5
 ullmann_X	6100	Cc1nc2cocc2cc1I.Clc1oc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het5Het6
 ullmann_X	6101	Cc1nc2cocc2cc1I.Clc1oc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het5Phe
-ullmann_X	6102	Cc1nc2cocc2cc1I.Clc1ccncc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het6
+ullmann_X	6102	Cc1nc2cocc2cc1I.Clc1ccncc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het6
 ullmann_X	6103	Cc1nc2cocc2cc1I.Clc1cc2cocc2nc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het6Het5
 ullmann_X	6104	Cc1nc2cocc2cc1I.Clc1ncc2ccncc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het6Het6
 ullmann_X	6105	Cc1nc2cocc2cc1I.Clc1ncc2ccccc2c1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Chloride_Het6Phe
-ullmann_X	6106	Cc1nc2cocc2cc1I.Ic1cocc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het5
+ullmann_X	6106	Cc1nc2cocc2cc1I.Ic1cocc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het5
 ullmann_X	6107	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1c(I)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het5Het5
 ullmann_X	6108	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1c(I)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het5Het6
 ullmann_X	6109	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1c(I)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het5Phe
-ullmann_X	6110	Cc1nc2cocc2cc1I.Ic1ccncc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het6
+ullmann_X	6110	Cc1nc2cocc2cc1I.Ic1ccncc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het6
 ullmann_X	6111	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het6Het5
 ullmann_X	6112	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1c(I)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het6Het6
 ullmann_X	6113	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1Cc1c(I)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_Het6Phe
 ullmann_X	6114	Cc1nc2cocc2cc1I.Ic1cc2cocc2cc1Cc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_PheHet5
 ullmann_X	6115	Cc1nc2cocc2cc1I.Ic1cc2cocc2nc1CCc1c(I)ccc2ccncc12>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Iodide_PheHet6
-ullmann_X	6116	Cc1nc2cocc2cc1I.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het5
+ullmann_X	6116	Cc1nc2cocc2cc1I.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het5
 ullmann_X	6117	Cc1nc2cocc2cc1I.O=S(=O)(Oc1oc2cocc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het5Het5
 ullmann_X	6118	Cc1nc2cocc2cc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het5Het6
 ullmann_X	6119	Cc1nc2cocc2cc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het5Phe
-ullmann_X	6120	Cc1nc2cocc2cc1I.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het6
+ullmann_X	6120	Cc1nc2cocc2cc1I.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het6
 ullmann_X	6121	Cc1nc2cocc2cc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het6Het5
 ullmann_X	6122	Cc1nc2cocc2cc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het6Het6
 ullmann_X	6123	Cc1nc2cocc2cc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_Het6Phe
 ullmann_X	6124	Cc1nc2cocc2cc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_PheHet5
 ullmann_X	6125	Cc1nc2cocc2cc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het5.X-Triflate_PheHet6
-ullmann_X	6126	Cc1c(I)ncc2ccncc12.Brc1ccccc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Phe
+ullmann_X	6126	Cc1c(I)ncc2ccncc12.Brc1ccccc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Phe
 ullmann_X	6127	Cc1c(I)ncc2ccncc12.Brc1ccc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_PhePhe
-ullmann_X	6128	Cc1c(I)ncc2ccncc12.Ic1ccccc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Phe
+ullmann_X	6128	Cc1c(I)ncc2ccncc12.Ic1ccccc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Phe
 ullmann_X	6129	Cc1c(I)ncc2ccncc12.Ic1ccc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_PhePhe
-ullmann_X	6130	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(I)ncc3ccncc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Phe
+ullmann_X	6130	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(I)ncc3ccncc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Phe
 ullmann_X	6131	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_PhePhe
-ullmann_X	6132	Cc1c(I)ncc2ccncc12.Brc1cocc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het5
+ullmann_X	6132	Cc1c(I)ncc2ccncc12.Brc1cocc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het5
 ullmann_X	6133	Cc1c(I)ncc2ccncc12.Brc1oc2cocc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het5Het5
 ullmann_X	6134	Cc1c(I)ncc2ccncc12.Brc1oc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het5Het6
 ullmann_X	6135	Cc1c(I)ncc2ccncc12.Brc1oc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het5Phe
-ullmann_X	6136	Cc1c(I)ncc2ccncc12.Brc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het6
+ullmann_X	6136	Cc1c(I)ncc2ccncc12.Brc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het6
 ullmann_X	6137	Cc1c(I)ncc2ccncc12.Brc1cc2cocc2nc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het6Het5
 ullmann_X	6138	Cc1c(I)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het6Het6
 ullmann_X	6139	Cc1c(I)ncc2ccncc12.Brc1ncc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_Het6Phe
 ullmann_X	6140	Cc1c(I)ncc2ccncc12.Brc1cc2cocc2cc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_PheHet5
 ullmann_X	6141	Cc1c(I)ncc2ccncc12.Brc1ccc2ccncc2c1CCc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Bromide_PheHet6
-ullmann_X	6142	Cc1c(I)ncc2ccncc12.Clc1cocc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het5
+ullmann_X	6142	Cc1c(I)ncc2ccncc12.Clc1cocc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het5
 ullmann_X	6143	Cc1c(I)ncc2ccncc12.Clc1oc2cocc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het5Het5
 ullmann_X	6144	Cc1c(I)ncc2ccncc12.Clc1oc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het5Het6
 ullmann_X	6145	Cc1c(I)ncc2ccncc12.Clc1oc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het5Phe
-ullmann_X	6146	Cc1c(I)ncc2ccncc12.Clc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het6
+ullmann_X	6146	Cc1c(I)ncc2ccncc12.Clc1ccncc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het6
 ullmann_X	6147	Cc1c(I)ncc2ccncc12.Clc1cc2cocc2nc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het6Het5
 ullmann_X	6148	Cc1c(I)ncc2ccncc12.Clc1ncc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het6Het6
 ullmann_X	6149	Cc1c(I)ncc2ccncc12.Clc1ncc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Chloride_Het6Phe
-ullmann_X	6150	Cc1c(I)ncc2ccncc12.Ic1cocc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het5
+ullmann_X	6150	Cc1c(I)ncc2ccncc12.Ic1cocc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het5
 ullmann_X	6151	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1c(I)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het5Het5
 ullmann_X	6152	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1c(I)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het5Het6
 ullmann_X	6153	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1c(I)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het5Phe
-ullmann_X	6154	Cc1c(I)ncc2ccncc12.Ic1ccncc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het6
+ullmann_X	6154	Cc1c(I)ncc2ccncc12.Ic1ccncc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het6
 ullmann_X	6155	Cc1c(I)ncc2ccncc12.Ic1cc2cocc2nc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het6Het5
 ullmann_X	6156	Cc1c(I)ncc2ccncc12.Ic1ncc2ccncc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het6Het6
 ullmann_X	6157	Cc1c(I)ncc2ccncc12.Ic1ncc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_Het6Phe
 ullmann_X	6158	Cc1c(I)ncc2ccncc12.Ic1cc2cocc2cc1Cc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_PheHet5
 ullmann_X	6159	Cc1c(I)ncc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Iodide_PheHet6
-ullmann_X	6160	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het5
+ullmann_X	6160	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het5
 ullmann_X	6161	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het5Het5
 ullmann_X	6162	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het5Het6
 ullmann_X	6163	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het5Phe
-ullmann_X	6164	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het6
+ullmann_X	6164	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het6
 ullmann_X	6165	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het6Het5
 ullmann_X	6166	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het6Het6
 ullmann_X	6167	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_Het6Phe
 ullmann_X	6168	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(I)ncc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_PheHet5
 ullmann_X	6169	Cc1c(I)ncc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Het6.X-Triflate_PheHet6
-ullmann_X	6170	Cc1c(I)ncc2ccccc12.Brc1ccccc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Phe
+ullmann_X	6170	Cc1c(I)ncc2ccccc12.Brc1ccccc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Phe
 ullmann_X	6171	Cc1c(I)ncc2ccccc12.Brc1ccc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_PhePhe
-ullmann_X	6172	Cc1c(I)ncc2ccccc12.Ic1ccccc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Phe
+ullmann_X	6172	Cc1c(I)ncc2ccccc12.Ic1ccccc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Phe
 ullmann_X	6173	Cc1c(I)ncc2ccccc12.Ic1ccc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_PhePhe
-ullmann_X	6174	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(I)ncc3ccccc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Phe
+ullmann_X	6174	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(I)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(I)ncc3ccccc23)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Phe
 ullmann_X	6175	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_PhePhe
-ullmann_X	6176	Cc1c(I)ncc2ccccc12.Brc1cocc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het5
+ullmann_X	6176	Cc1c(I)ncc2ccccc12.Brc1cocc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het5
 ullmann_X	6177	Cc1c(I)ncc2ccccc12.Brc1oc2cocc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het5Het5
 ullmann_X	6178	Cc1c(I)ncc2ccccc12.Brc1oc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het5Het6
 ullmann_X	6179	Cc1c(I)ncc2ccccc12.Brc1oc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het5Phe
-ullmann_X	6180	Cc1c(I)ncc2ccccc12.Brc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het6
+ullmann_X	6180	Cc1c(I)ncc2ccccc12.Brc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het6
 ullmann_X	6181	Cc1c(I)ncc2ccccc12.Brc1cc2cocc2nc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het6Het5
 ullmann_X	6182	Cc1c(I)ncc2ccccc12.Brc1ncc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het6Het6
 ullmann_X	6183	Cc1c(I)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_Het6Phe
 ullmann_X	6184	Cc1c(I)ncc2ccccc12.Brc1cc2cocc2cc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_PheHet5
 ullmann_X	6185	Cc1c(I)ncc2ccccc12.Brc1ccc2ccncc2c1CCc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Bromide_PheHet6
-ullmann_X	6186	Cc1c(I)ncc2ccccc12.Clc1cocc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het5
+ullmann_X	6186	Cc1c(I)ncc2ccccc12.Clc1cocc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het5
 ullmann_X	6187	Cc1c(I)ncc2ccccc12.Clc1oc2cocc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het5Het5
 ullmann_X	6188	Cc1c(I)ncc2ccccc12.Clc1oc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het5Het6
 ullmann_X	6189	Cc1c(I)ncc2ccccc12.Clc1oc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het5Phe
-ullmann_X	6190	Cc1c(I)ncc2ccccc12.Clc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het6
+ullmann_X	6190	Cc1c(I)ncc2ccccc12.Clc1ccncc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het6
 ullmann_X	6191	Cc1c(I)ncc2ccccc12.Clc1cc2cocc2nc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het6Het5
 ullmann_X	6192	Cc1c(I)ncc2ccccc12.Clc1ncc2ccncc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het6Het6
 ullmann_X	6193	Cc1c(I)ncc2ccccc12.Clc1ncc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Chloride_Het6Phe
-ullmann_X	6194	Cc1c(I)ncc2ccccc12.Ic1cocc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het5
+ullmann_X	6194	Cc1c(I)ncc2ccccc12.Ic1cocc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het5
 ullmann_X	6195	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1c(I)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het5Het5
 ullmann_X	6196	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1c(I)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het5Het6
 ullmann_X	6197	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1c(I)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het5Phe
-ullmann_X	6198	Cc1c(I)ncc2ccccc12.Ic1ccncc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het6
+ullmann_X	6198	Cc1c(I)ncc2ccccc12.Ic1ccncc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het6
 ullmann_X	6199	Cc1c(I)ncc2ccccc12.Ic1cc2cocc2nc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het6Het5
 ullmann_X	6200	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1c(I)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het6Het6
 ullmann_X	6201	Cc1c(I)ncc2ccccc12.Ic1ncc2ccccc2c1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_Het6Phe
 ullmann_X	6202	Cc1c(I)ncc2ccccc12.Ic1cc2cocc2cc1Cc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_PheHet5
 ullmann_X	6203	Cc1c(I)ncc2ccccc12.Ic1ccc2ccncc2c1CCc1c(I)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Iodide_PheHet6
-ullmann_X	6204	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het5
+ullmann_X	6204	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het5
 ullmann_X	6205	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het5Het5
 ullmann_X	6206	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het5Het6
 ullmann_X	6207	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het5Phe
-ullmann_X	6208	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het6
+ullmann_X	6208	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het6
 ullmann_X	6209	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het6Het5
 ullmann_X	6210	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het6Het6
 ullmann_X	6211	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_Het6Phe
 ullmann_X	6212	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(I)ncc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_PheHet5
 ullmann_X	6213	Cc1c(I)ncc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_Het6Phe.X-Triflate_PheHet6
-ullmann_X	6214	Cc1cc2cocc2cc1I.Brc1ccccc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Phe
+ullmann_X	6214	Cc1cc2cocc2cc1I.Brc1ccccc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Phe
 ullmann_X	6215	Cc1cc2cocc2cc1I.Brc1ccc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_PhePhe
-ullmann_X	6216	Cc1cc2cocc2cc1I.Ic1ccccc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Phe
+ullmann_X	6216	Cc1cc2cocc2cc1I.Ic1ccccc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Phe
 ullmann_X	6217	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1c(I)ccc2ccccc12>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_PhePhe
-ullmann_X	6218	Cc1cc2cocc2cc1I.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2I)c1)C(F)(F)F>>Cc1cc2cocc2cc1c1cccc(Cc2cc3cocc3cc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Phe
+ullmann_X	6218	Cc1cc2cocc2cc1I.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2I)c1)C(F)(F)F>>Cc1cc2cocc2cc1c1cccc(Cc2cc3cocc3cc2I)c1	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Phe
 ullmann_X	6219	Cc1cc2cocc2cc1I.O=S(=O)(Oc1ccc2ccccc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_PhePhe
-ullmann_X	6220	Cc1cc2cocc2cc1I.Brc1cocc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het5
+ullmann_X	6220	Cc1cc2cocc2cc1I.Brc1cocc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het5
 ullmann_X	6221	Cc1cc2cocc2cc1I.Brc1oc2cocc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het5Het5
 ullmann_X	6222	Cc1cc2cocc2cc1I.Brc1oc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het5Het6
 ullmann_X	6223	Cc1cc2cocc2cc1I.Brc1oc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het5Phe
-ullmann_X	6224	Cc1cc2cocc2cc1I.Brc1ccncc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het6
+ullmann_X	6224	Cc1cc2cocc2cc1I.Brc1ccncc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het6
 ullmann_X	6225	Cc1cc2cocc2cc1I.Brc1cc2cocc2nc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het6Het5
 ullmann_X	6226	Cc1cc2cocc2cc1I.Brc1ncc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het6Het6
 ullmann_X	6227	Cc1cc2cocc2cc1I.Brc1ncc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_Het6Phe
 ullmann_X	6228	Cc1cc2cocc2cc1I.Brc1cc2cocc2cc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_PheHet5
 ullmann_X	6229	Cc1cc2cocc2cc1I.Brc1ccc2ccncc2c1CCc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Bromide_PheHet6
-ullmann_X	6230	Cc1cc2cocc2cc1I.Clc1cocc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het5
+ullmann_X	6230	Cc1cc2cocc2cc1I.Clc1cocc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het5
 ullmann_X	6231	Cc1cc2cocc2cc1I.Clc1oc2cocc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het5Het5
 ullmann_X	6232	Cc1cc2cocc2cc1I.Clc1oc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het5Het6
 ullmann_X	6233	Cc1cc2cocc2cc1I.Clc1oc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het5Phe
-ullmann_X	6234	Cc1cc2cocc2cc1I.Clc1ccncc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het6
+ullmann_X	6234	Cc1cc2cocc2cc1I.Clc1ccncc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het6
 ullmann_X	6235	Cc1cc2cocc2cc1I.Clc1cc2cocc2nc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het6Het5
 ullmann_X	6236	Cc1cc2cocc2cc1I.Clc1ncc2ccncc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het6Het6
 ullmann_X	6237	Cc1cc2cocc2cc1I.Clc1ncc2ccccc2c1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Chloride_Het6Phe
-ullmann_X	6238	Cc1cc2cocc2cc1I.Ic1cocc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het5
+ullmann_X	6238	Cc1cc2cocc2cc1I.Ic1cocc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het5
 ullmann_X	6239	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1c(I)oc2cocc12>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het5Het5
 ullmann_X	6240	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1c(I)oc2ccncc12>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het5Het6
 ullmann_X	6241	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1c(I)oc2ccccc12>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het5Phe
-ullmann_X	6242	Cc1cc2cocc2cc1I.Ic1ccncc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het6
+ullmann_X	6242	Cc1cc2cocc2cc1I.Ic1ccncc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het6
 ullmann_X	6243	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1nc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het6Het5
 ullmann_X	6244	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1c(I)ncc2ccncc12>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het6Het6
 ullmann_X	6245	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1c(I)ncc2ccccc12>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_Het6Phe
 ullmann_X	6246	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1Cc1cc2cocc2cc1I>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_PheHet5
 ullmann_X	6247	Cc1cc2cocc2cc1I.Ic1cc2cocc2cc1CCc1c(I)ccc2ccncc12>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Iodide_PheHet6
-ullmann_X	6248	Cc1cc2cocc2cc1I.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het5
+ullmann_X	6248	Cc1cc2cocc2cc1I.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het5
 ullmann_X	6249	Cc1cc2cocc2cc1I.O=S(=O)(Oc1oc2cocc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het5Het5
 ullmann_X	6250	Cc1cc2cocc2cc1I.O=S(=O)(Oc1oc2ccncc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het5Het6
 ullmann_X	6251	Cc1cc2cocc2cc1I.O=S(=O)(Oc1oc2ccccc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het5Phe
-ullmann_X	6252	Cc1cc2cocc2cc1I.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het6
+ullmann_X	6252	Cc1cc2cocc2cc1I.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het6
 ullmann_X	6253	Cc1cc2cocc2cc1I.O=S(=O)(Oc1cc2cocc2nc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het6Het5
 ullmann_X	6254	Cc1cc2cocc2cc1I.O=S(=O)(Oc1ncc2ccncc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het6Het6
 ullmann_X	6255	Cc1cc2cocc2cc1I.O=S(=O)(Oc1ncc2ccccc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_Het6Phe
 ullmann_X	6256	Cc1cc2cocc2cc1I.O=S(=O)(Oc1cc2cocc2cc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_PheHet5
 ullmann_X	6257	Cc1cc2cocc2cc1I.O=S(=O)(Oc1ccc2ccncc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet5.X-Triflate_PheHet6
-ullmann_X	6258	CCc1c(I)ccc2ccncc12.Brc1ccccc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Phe
+ullmann_X	6258	CCc1c(I)ccc2ccncc12.Brc1ccccc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Phe
 ullmann_X	6259	CCc1c(I)ccc2ccncc12.Brc1ccc2ccccc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_PhePhe
-ullmann_X	6260	CCc1c(I)ccc2ccncc12.Ic1ccccc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Phe
+ullmann_X	6260	CCc1c(I)ccc2ccncc12.Ic1ccccc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Phe
 ullmann_X	6261	CCc1c(I)ccc2ccncc12.Ic1ccc2ccccc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_PhePhe
-ullmann_X	6262	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1cccc(CCc2c(I)ccc3ccncc23)c1)C(F)(F)F>>CCc1c(c2cccc(CCc3c(I)ccc4ccncc34)c2)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Phe
+ullmann_X	6262	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1cccc(CCc2c(I)ccc3ccncc23)c1)C(F)(F)F>>CCc1c(c2cccc(CCc3c(I)ccc4ccncc34)c2)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Phe
 ullmann_X	6263	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_PhePhe
-ullmann_X	6264	CCc1c(I)ccc2ccncc12.Brc1cocc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het5
+ullmann_X	6264	CCc1c(I)ccc2ccncc12.Brc1cocc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het5
 ullmann_X	6265	CCc1c(I)ccc2ccncc12.Brc1oc2cocc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het5Het5
 ullmann_X	6266	CCc1c(I)ccc2ccncc12.Brc1oc2ccncc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het5Het6
 ullmann_X	6267	CCc1c(I)ccc2ccncc12.Brc1oc2ccccc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het5Phe
-ullmann_X	6268	CCc1c(I)ccc2ccncc12.Brc1ccncc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het6
+ullmann_X	6268	CCc1c(I)ccc2ccncc12.Brc1ccncc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het6
 ullmann_X	6269	CCc1c(I)ccc2ccncc12.Brc1cc2cocc2nc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het6Het5
 ullmann_X	6270	CCc1c(I)ccc2ccncc12.Brc1ncc2ccncc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het6Het6
 ullmann_X	6271	CCc1c(I)ccc2ccncc12.Brc1ncc2ccccc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_Het6Phe
 ullmann_X	6272	CCc1c(I)ccc2ccncc12.Brc1cc2cocc2cc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2cc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_PheHet5
 ullmann_X	6273	CCc1c(I)ccc2ccncc12.Brc1ccc2ccncc2c1CCCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccncc2c1CCCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Bromide_PheHet6
-ullmann_X	6274	CCc1c(I)ccc2ccncc12.Clc1cocc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het5
+ullmann_X	6274	CCc1c(I)ccc2ccncc12.Clc1cocc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het5
 ullmann_X	6275	CCc1c(I)ccc2ccncc12.Clc1oc2cocc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het5Het5
 ullmann_X	6276	CCc1c(I)ccc2ccncc12.Clc1oc2ccncc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het5Het6
 ullmann_X	6277	CCc1c(I)ccc2ccncc12.Clc1oc2ccccc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het5Phe
-ullmann_X	6278	CCc1c(I)ccc2ccncc12.Clc1ccncc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het6
+ullmann_X	6278	CCc1c(I)ccc2ccncc12.Clc1ccncc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het6
 ullmann_X	6279	CCc1c(I)ccc2ccncc12.Clc1cc2cocc2nc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het6Het5
 ullmann_X	6280	CCc1c(I)ccc2ccncc12.Clc1ncc2ccncc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het6Het6
 ullmann_X	6281	CCc1c(I)ccc2ccncc12.Clc1ncc2ccccc2c1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Chloride_Het6Phe
-ullmann_X	6282	CCc1c(I)ccc2ccncc12.Ic1cocc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het5
+ullmann_X	6282	CCc1c(I)ccc2ccncc12.Ic1cocc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het5
 ullmann_X	6283	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)oc2cocc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het5Het5
 ullmann_X	6284	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)oc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het5Het6
 ullmann_X	6285	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)oc2ccccc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het5Phe
-ullmann_X	6286	CCc1c(I)ccc2ccncc12.Ic1ccncc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het6
+ullmann_X	6286	CCc1c(I)ccc2ccncc12.Ic1ccncc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het6
 ullmann_X	6287	CCc1c(I)ccc2ccncc12.Ic1cc2cocc2nc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het6Het5
 ullmann_X	6288	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)ncc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het6Het6
 ullmann_X	6289	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCc1c(I)ncc2ccccc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_Het6Phe
 ullmann_X	6290	CCc1c(I)ccc2ccncc12.Ic1cc2cocc2cc1CCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2cc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_PheHet5
 ullmann_X	6291	CCc1c(I)ccc2ccncc12.Ic1ccc2ccncc2c1CCCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccncc2c1CCCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Iodide_PheHet6
-ullmann_X	6292	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1cocc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het5
+ullmann_X	6292	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1cocc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cocc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het5
 ullmann_X	6293	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1oc2cocc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het5Het5
 ullmann_X	6294	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het5Het6
 ullmann_X	6295	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het5Phe
-ullmann_X	6296	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1ccncc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het6
+ullmann_X	6296	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1ccncc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het6
 ullmann_X	6297	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het6Het5
 ullmann_X	6298	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het6Het6
 ullmann_X	6299	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_Het6Phe
 ullmann_X	6300	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1c1cc2cocc2cc1CCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_PheHet5
 ullmann_X	6301	CCc1c(I)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>CCc1c2cnccc2ccc1:S(=O)(=O)C(F)(F)F	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Iodide_PheHet6.X-Triflate_PheHet6
-ullmann_X	6302	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccccc1Br)C(F)(F)F>>Cc1cocc1c1ccccc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Phe
-ullmann_X	6303	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_PhePhe
-ullmann_X	6304	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccccc1I)C(F)(F)F>>Cc1cocc1c1ccccc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Phe
-ullmann_X	6305	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_PhePhe
-ullmann_X	6306	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2cocc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Phe
-ullmann_X	6307	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_PhePhe
-ullmann_X	6308	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5
-ullmann_X	6309	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5Het5
-ullmann_X	6310	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5Het6
-ullmann_X	6311	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5Phe
-ullmann_X	6312	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnccc1Br)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6
-ullmann_X	6313	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6Het5
-ullmann_X	6314	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6Het6
-ullmann_X	6315	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6Phe
-ullmann_X	6316	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_PheHet5
-ullmann_X	6317	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_PheHet6
-ullmann_X	6318	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5
-ullmann_X	6319	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5Het5
-ullmann_X	6320	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5Het6
-ullmann_X	6321	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5Phe
-ullmann_X	6322	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6
-ullmann_X	6323	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6Het5
-ullmann_X	6324	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6Het6
-ullmann_X	6325	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6Phe
-ullmann_X	6326	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5
-ullmann_X	6327	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5Het5
-ullmann_X	6328	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5Het6
-ullmann_X	6329	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5Phe
-ullmann_X	6330	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnccc1I)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6
-ullmann_X	6331	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6Het5
-ullmann_X	6332	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6Het6
-ullmann_X	6333	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6Phe
-ullmann_X	6334	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_PheHet5
-ullmann_X	6335	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_PheHet6
-ullmann_X	6336	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5
-ullmann_X	6337	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5Het5
-ullmann_X	6338	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5Het6
-ullmann_X	6339	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5Phe
-ullmann_X	6340	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6
-ullmann_X	6341	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6Het5
-ullmann_X	6342	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6Het6
-ullmann_X	6343	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6Phe
-ullmann_X	6344	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_PheHet5
-ullmann_X	6345	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1cocc1c1ccc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_PheHet6
-ullmann_X	6346	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Phe
+ullmann_X	6302	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccccc1Br)C(F)(F)F>>Cc1cocc1c1ccccc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Phe
+ullmann_X	6303	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_PhePhe
+ullmann_X	6304	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1ccccc1I)C(F)(F)F>>Cc1cocc1c1ccccc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Phe
+ullmann_X	6305	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_PhePhe
+ullmann_X	6306	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2cocc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cocc1c1cccc(Cc2cocc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Phe
+ullmann_X	6307	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_PhePhe
+ullmann_X	6308	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1Br)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5
+ullmann_X	6309	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5Het5
+ullmann_X	6310	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5Het6
+ullmann_X	6311	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het5Phe
+ullmann_X	6312	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnccc1Br)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6
+ullmann_X	6313	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6Het5
+ullmann_X	6314	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6Het6
+ullmann_X	6315	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_Het6Phe
+ullmann_X	6316	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_PheHet5
+ullmann_X	6317	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Bromide_PheHet6
+ullmann_X	6318	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1Cl)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5
+ullmann_X	6319	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5Het5
+ullmann_X	6320	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5Het6
+ullmann_X	6321	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het5Phe
+ullmann_X	6322	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6
+ullmann_X	6323	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6Het5
+ullmann_X	6324	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6Het6
+ullmann_X	6325	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Chloride_Het6Phe
+ullmann_X	6326	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1I)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5
+ullmann_X	6327	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5Het5
+ullmann_X	6328	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5Het6
+ullmann_X	6329	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het5Phe
+ullmann_X	6330	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cnccc1I)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6
+ullmann_X	6331	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6Het5
+ullmann_X	6332	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6Het6
+ullmann_X	6333	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_Het6Phe
+ullmann_X	6334	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_PheHet5
+ullmann_X	6335	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Iodide_PheHet6
+ullmann_X	6336	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1cocc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5
+ullmann_X	6337	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1cocc1c1oc2cocc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5Het5
+ullmann_X	6338	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5Het6
+ullmann_X	6339	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het5Phe
+ullmann_X	6340	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6
+ullmann_X	6341	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6Het5
+ullmann_X	6342	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6Het6
+ullmann_X	6343	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_Het6Phe
+ullmann_X	6344	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_PheHet5
+ullmann_X	6345	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1cocc1c1ccc2ccncc2c1Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5.X-Triflate_PheHet6
+ullmann_X	6346	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Phe
 ullmann_X	6347	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_PhePhe
-ullmann_X	6348	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cocc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Phe
+ullmann_X	6348	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cocc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Phe
 ullmann_X	6349	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_PhePhe
-ullmann_X	6350	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Phe
+ullmann_X	6350	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1)C(F)(F)F>>Cc1c2cocc2oc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Phe
 ullmann_X	6351	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_PhePhe
-ullmann_X	6352	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het5
+ullmann_X	6352	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het5
 ullmann_X	6353	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het5Het5
 ullmann_X	6354	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het5Het6
 ullmann_X	6355	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het5Phe
-ullmann_X	6356	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het6
+ullmann_X	6356	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het6
 ullmann_X	6357	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het6Het5
 ullmann_X	6358	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het6Het6
 ullmann_X	6359	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_Het6Phe
 ullmann_X	6360	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_PheHet5
 ullmann_X	6361	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Bromide_PheHet6
-ullmann_X	6362	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het5
+ullmann_X	6362	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het5
 ullmann_X	6363	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het5Het5
 ullmann_X	6364	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het5Het6
 ullmann_X	6365	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het5Phe
-ullmann_X	6366	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het6
+ullmann_X	6366	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het6
 ullmann_X	6367	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het6Het5
 ullmann_X	6368	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het6Het6
 ullmann_X	6369	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Chloride_Het6Phe
-ullmann_X	6370	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het5
+ullmann_X	6370	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het5
 ullmann_X	6371	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het5Het5
 ullmann_X	6372	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het5Het6
 ullmann_X	6373	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het5Phe
-ullmann_X	6374	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het6
+ullmann_X	6374	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het6
 ullmann_X	6375	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het6Het5
 ullmann_X	6376	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het6Het6
 ullmann_X	6377	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_Het6Phe
 ullmann_X	6378	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_PheHet5
 ullmann_X	6379	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Iodide_PheHet6
-ullmann_X	6380	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het5
+ullmann_X	6380	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het5
 ullmann_X	6381	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het5Het5
 ullmann_X	6382	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het5Het6
 ullmann_X	6383	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het5Phe
-ullmann_X	6384	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het6
+ullmann_X	6384	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het6
 ullmann_X	6385	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het6Het5
 ullmann_X	6386	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het6Het6
 ullmann_X	6387	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_Het6Phe
 ullmann_X	6388	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_PheHet5
 ullmann_X	6389	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cocc2oc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het5.X-Triflate_PheHet6
-ullmann_X	6390	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Phe
+ullmann_X	6390	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Phe
 ullmann_X	6391	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_PhePhe
-ullmann_X	6392	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Phe
+ullmann_X	6392	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Phe
 ullmann_X	6393	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_PhePhe
-ullmann_X	6394	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Phe
+ullmann_X	6394	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2oc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccncc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Phe
 ullmann_X	6395	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_PhePhe
-ullmann_X	6396	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het5
+ullmann_X	6396	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het5
 ullmann_X	6397	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het5Het5
 ullmann_X	6398	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het5Het6
 ullmann_X	6399	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het5Phe
-ullmann_X	6400	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het6
+ullmann_X	6400	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het6
 ullmann_X	6401	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het6Het5
 ullmann_X	6402	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het6Het6
 ullmann_X	6403	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_Het6Phe
 ullmann_X	6404	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_PheHet5
 ullmann_X	6405	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Bromide_PheHet6
-ullmann_X	6406	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het5
+ullmann_X	6406	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het5
 ullmann_X	6407	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het5Het5
 ullmann_X	6408	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het5Het6
 ullmann_X	6409	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het5Phe
-ullmann_X	6410	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het6
+ullmann_X	6410	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het6
 ullmann_X	6411	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het6Het5
 ullmann_X	6412	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het6Het6
 ullmann_X	6413	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Chloride_Het6Phe
-ullmann_X	6414	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het5
+ullmann_X	6414	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het5
 ullmann_X	6415	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het5Het5
 ullmann_X	6416	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het5Het6
 ullmann_X	6417	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het5Phe
-ullmann_X	6418	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het6
+ullmann_X	6418	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het6
 ullmann_X	6419	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het6Het5
 ullmann_X	6420	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het6Het6
 ullmann_X	6421	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_Het6Phe
 ullmann_X	6422	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_PheHet5
 ullmann_X	6423	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Iodide_PheHet6
-ullmann_X	6424	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het5
+ullmann_X	6424	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het5
 ullmann_X	6425	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het5Het5
 ullmann_X	6426	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het5Het6
 ullmann_X	6427	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het5Phe
-ullmann_X	6428	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het6
+ullmann_X	6428	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het6
 ullmann_X	6429	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het6Het5
 ullmann_X	6430	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het6Het6
 ullmann_X	6431	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_Het6Phe
 ullmann_X	6432	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_PheHet5
 ullmann_X	6433	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2oc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Het6.X-Triflate_PheHet6
-ullmann_X	6434	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Phe
+ullmann_X	6434	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Phe
 ullmann_X	6435	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_PhePhe
-ullmann_X	6436	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Phe
+ullmann_X	6436	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Phe
 ullmann_X	6437	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_PhePhe
-ullmann_X	6438	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Phe
+ullmann_X	6438	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2oc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Phe
 ullmann_X	6439	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_PhePhe
-ullmann_X	6440	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het5
+ullmann_X	6440	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het5
 ullmann_X	6441	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het5Het5
 ullmann_X	6442	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het5Het6
 ullmann_X	6443	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het5Phe
-ullmann_X	6444	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het6
+ullmann_X	6444	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het6
 ullmann_X	6445	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het6Het5
 ullmann_X	6446	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het6Het6
 ullmann_X	6447	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_Het6Phe
 ullmann_X	6448	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_PheHet5
 ullmann_X	6449	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Bromide_PheHet6
-ullmann_X	6450	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het5
+ullmann_X	6450	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het5
 ullmann_X	6451	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het5Het5
 ullmann_X	6452	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het5Het6
 ullmann_X	6453	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het5Phe
-ullmann_X	6454	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het6
+ullmann_X	6454	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het6
 ullmann_X	6455	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het6Het5
 ullmann_X	6456	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het6Het6
 ullmann_X	6457	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Chloride_Het6Phe
-ullmann_X	6458	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het5
+ullmann_X	6458	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het5
 ullmann_X	6459	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het5Het5
 ullmann_X	6460	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het5Het6
 ullmann_X	6461	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het5Phe
-ullmann_X	6462	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het6
+ullmann_X	6462	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het6
 ullmann_X	6463	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het6Het5
 ullmann_X	6464	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het6Het6
 ullmann_X	6465	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_Het6Phe
 ullmann_X	6466	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_PheHet5
 ullmann_X	6467	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Iodide_PheHet6
-ullmann_X	6468	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het5
+ullmann_X	6468	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het5
 ullmann_X	6469	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het5Het5
 ullmann_X	6470	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het5Het6
 ullmann_X	6471	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het5Phe
-ullmann_X	6472	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het6
+ullmann_X	6472	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het6
 ullmann_X	6473	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het6Het5
 ullmann_X	6474	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het6Het6
 ullmann_X	6475	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_Het6Phe
 ullmann_X	6476	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_PheHet5
 ullmann_X	6477	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2oc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het5Phe.X-Triflate_PheHet6
-ullmann_X	6478	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccccc1Br)C(F)(F)F>>Cc1cnccc1c1ccccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Phe
-ullmann_X	6479	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_PhePhe
-ullmann_X	6480	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccccc1I)C(F)(F)F>>Cc1cnccc1c1ccccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Phe
-ullmann_X	6481	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_PhePhe
-ullmann_X	6482	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2cnccc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Phe
-ullmann_X	6483	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_PhePhe
-ullmann_X	6484	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1Br)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5
-ullmann_X	6485	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5Het5
-ullmann_X	6486	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5Het6
-ullmann_X	6487	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5Phe
-ullmann_X	6488	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6
-ullmann_X	6489	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6Het5
-ullmann_X	6490	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6Het6
-ullmann_X	6491	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6Phe
-ullmann_X	6492	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_PheHet5
-ullmann_X	6493	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_PheHet6
-ullmann_X	6494	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1Cl)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5
-ullmann_X	6495	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5Het5
-ullmann_X	6496	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5Het6
-ullmann_X	6497	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5Phe
-ullmann_X	6498	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6
-ullmann_X	6499	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6Het5
-ullmann_X	6500	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6Het6
-ullmann_X	6501	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6Phe
-ullmann_X	6502	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1I)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5
-ullmann_X	6503	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5Het5
-ullmann_X	6504	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5Het6
-ullmann_X	6505	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5Phe
-ullmann_X	6506	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6
-ullmann_X	6507	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6Het5
-ullmann_X	6508	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6Het6
-ullmann_X	6509	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6Phe
-ullmann_X	6510	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_PheHet5
-ullmann_X	6511	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_PheHet6
-ullmann_X	6512	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5
-ullmann_X	6513	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5Het5
-ullmann_X	6514	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5Het6
-ullmann_X	6515	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5Phe
-ullmann_X	6516	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6
-ullmann_X	6517	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6Het5
-ullmann_X	6518	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6Het6
-ullmann_X	6519	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6Phe
-ullmann_X	6520	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_PheHet5
-ullmann_X	6521	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_PheHet6
-ullmann_X	6522	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Phe
+ullmann_X	6478	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccccc1Br)C(F)(F)F>>Cc1cnccc1c1ccccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Phe
+ullmann_X	6479	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_PhePhe
+ullmann_X	6480	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1ccccc1I)C(F)(F)F>>Cc1cnccc1c1ccccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Phe
+ullmann_X	6481	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_PhePhe
+ullmann_X	6482	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2cnccc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cnccc1c1cccc(Cc2cnccc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Phe
+ullmann_X	6483	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_PhePhe
+ullmann_X	6484	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1Br)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5
+ullmann_X	6485	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5Het5
+ullmann_X	6486	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5Het6
+ullmann_X	6487	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het5Phe
+ullmann_X	6488	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1Br)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6
+ullmann_X	6489	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6Het5
+ullmann_X	6490	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6Het6
+ullmann_X	6491	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_Het6Phe
+ullmann_X	6492	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_PheHet5
+ullmann_X	6493	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Bromide_PheHet6
+ullmann_X	6494	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1Cl)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5
+ullmann_X	6495	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5Het5
+ullmann_X	6496	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5Het6
+ullmann_X	6497	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het5Phe
+ullmann_X	6498	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6
+ullmann_X	6499	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6Het5
+ullmann_X	6500	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6Het6
+ullmann_X	6501	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Chloride_Het6Phe
+ullmann_X	6502	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1I)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5
+ullmann_X	6503	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5Het5
+ullmann_X	6504	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5Het6
+ullmann_X	6505	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het5Phe
+ullmann_X	6506	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1I)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6
+ullmann_X	6507	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6Het5
+ullmann_X	6508	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6Het6
+ullmann_X	6509	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_Het6Phe
+ullmann_X	6510	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_PheHet5
+ullmann_X	6511	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Iodide_PheHet6
+ullmann_X	6512	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5
+ullmann_X	6513	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5Het5
+ullmann_X	6514	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5Het6
+ullmann_X	6515	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het5Phe
+ullmann_X	6516	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6
+ullmann_X	6517	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6Het5
+ullmann_X	6518	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6Het6
+ullmann_X	6519	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_Het6Phe
+ullmann_X	6520	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_PheHet5
+ullmann_X	6521	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1cnccc1c1ccc2ccncc2c1Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6.X-Triflate_PheHet6
+ullmann_X	6522	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Phe
 ullmann_X	6523	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_PhePhe
-ullmann_X	6524	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Phe
+ullmann_X	6524	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1ccccc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Phe
 ullmann_X	6525	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_PhePhe
-ullmann_X	6526	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Phe
+ullmann_X	6526	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1nc2cocc2cc1c1cccc(Cc2nc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Phe
 ullmann_X	6527	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_PhePhe
-ullmann_X	6528	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het5
+ullmann_X	6528	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het5
 ullmann_X	6529	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het5Het5
 ullmann_X	6530	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het5Het6
 ullmann_X	6531	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het5Phe
-ullmann_X	6532	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het6
+ullmann_X	6532	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het6
 ullmann_X	6533	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het6Het5
 ullmann_X	6534	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het6Het6
 ullmann_X	6535	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_Het6Phe
 ullmann_X	6536	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_PheHet5
 ullmann_X	6537	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Bromide_PheHet6
-ullmann_X	6538	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het5
+ullmann_X	6538	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het5
 ullmann_X	6539	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het5Het5
 ullmann_X	6540	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het5Het6
 ullmann_X	6541	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het5Phe
-ullmann_X	6542	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het6
+ullmann_X	6542	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het6
 ullmann_X	6543	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het6Het5
 ullmann_X	6544	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het6Het6
 ullmann_X	6545	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Chloride_Het6Phe
-ullmann_X	6546	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het5
+ullmann_X	6546	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cocc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het5
 ullmann_X	6547	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het5Het5
 ullmann_X	6548	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het5Het6
 ullmann_X	6549	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het5Phe
-ullmann_X	6550	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het6
+ullmann_X	6550	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cnccc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het6
 ullmann_X	6551	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het6Het5
 ullmann_X	6552	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het6Het6
 ullmann_X	6553	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_Het6Phe
 ullmann_X	6554	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_PheHet5
 ullmann_X	6555	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Iodide_PheHet6
-ullmann_X	6556	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het5
+ullmann_X	6556	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het5
 ullmann_X	6557	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het5Het5
 ullmann_X	6558	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het5Het6
 ullmann_X	6559	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het5Phe
-ullmann_X	6560	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het6
+ullmann_X	6560	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het6
 ullmann_X	6561	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het6Het5
 ullmann_X	6562	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het6Het6
 ullmann_X	6563	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_Het6Phe
 ullmann_X	6564	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1nc2cocc2cc1c1cc2cocc2cc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_PheHet5
 ullmann_X	6565	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1nc2cocc2cc1c1ccc2ccncc2c1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het5.X-Triflate_PheHet6
-ullmann_X	6566	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Phe
+ullmann_X	6566	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Phe
 ullmann_X	6567	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_PhePhe
-ullmann_X	6568	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Phe
+ullmann_X	6568	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Phe
 ullmann_X	6569	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_PhePhe
-ullmann_X	6570	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Phe
+ullmann_X	6570	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1)C(F)(F)F>>Cc1c2cnccc2cnc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccncc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Phe
 ullmann_X	6571	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_PhePhe
-ullmann_X	6572	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het5
+ullmann_X	6572	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het5
 ullmann_X	6573	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het5Het5
 ullmann_X	6574	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het5Het6
 ullmann_X	6575	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het5Phe
-ullmann_X	6576	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het6
+ullmann_X	6576	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het6
 ullmann_X	6577	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het6Het5
 ullmann_X	6578	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het6Het6
 ullmann_X	6579	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_Het6Phe
 ullmann_X	6580	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_PheHet5
 ullmann_X	6581	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Bromide_PheHet6
-ullmann_X	6582	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het5
+ullmann_X	6582	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het5
 ullmann_X	6583	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het5Het5
 ullmann_X	6584	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het5Het6
 ullmann_X	6585	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het5Phe
-ullmann_X	6586	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het6
+ullmann_X	6586	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het6
 ullmann_X	6587	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het6Het5
 ullmann_X	6588	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het6Het6
 ullmann_X	6589	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Chloride_Het6Phe
-ullmann_X	6590	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het5
+ullmann_X	6590	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het5
 ullmann_X	6591	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het5Het5
 ullmann_X	6592	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het5Het6
 ullmann_X	6593	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het5Phe
-ullmann_X	6594	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het6
+ullmann_X	6594	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het6
 ullmann_X	6595	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het6Het5
 ullmann_X	6596	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het6Het6
 ullmann_X	6597	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_Het6Phe
 ullmann_X	6598	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_PheHet5
 ullmann_X	6599	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Iodide_PheHet6
-ullmann_X	6600	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het5
+ullmann_X	6600	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het5
 ullmann_X	6601	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het5Het5
 ullmann_X	6602	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het5Het6
 ullmann_X	6603	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het5Phe
-ullmann_X	6604	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het6
+ullmann_X	6604	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het6
 ullmann_X	6605	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het6Het5
 ullmann_X	6606	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het6Het6
 ullmann_X	6607	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_Het6Phe
 ullmann_X	6608	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_PheHet5
 ullmann_X	6609	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2cnc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Het6.X-Triflate_PheHet6
-ullmann_X	6610	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Phe
+ullmann_X	6610	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Phe
 ullmann_X	6611	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_PhePhe
-ullmann_X	6612	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Phe
+ullmann_X	6612	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Phe
 ullmann_X	6613	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_PhePhe
-ullmann_X	6614	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Phe
+ullmann_X	6614	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1)C(F)(F)F>>Cc1c2ccccc2cnc1c1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ncc3ccccc23)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Phe
 ullmann_X	6615	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_PhePhe
-ullmann_X	6616	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het5
+ullmann_X	6616	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het5
 ullmann_X	6617	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het5Het5
 ullmann_X	6618	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het5Het6
 ullmann_X	6619	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het5Phe
-ullmann_X	6620	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het6
+ullmann_X	6620	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het6
 ullmann_X	6621	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het6Het5
 ullmann_X	6622	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het6Het6
 ullmann_X	6623	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_Het6Phe
 ullmann_X	6624	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_PheHet5
 ullmann_X	6625	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Bromide_PheHet6
-ullmann_X	6626	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het5
+ullmann_X	6626	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het5
 ullmann_X	6627	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het5Het5
 ullmann_X	6628	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het5Het6
 ullmann_X	6629	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het5Phe
-ullmann_X	6630	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het6
+ullmann_X	6630	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het6
 ullmann_X	6631	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het6Het5
 ullmann_X	6632	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het6Het6
 ullmann_X	6633	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Chloride_Het6Phe
-ullmann_X	6634	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het5
+ullmann_X	6634	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het5
 ullmann_X	6635	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het5Het5
 ullmann_X	6636	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het5Het6
 ullmann_X	6637	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het5Phe
-ullmann_X	6638	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het6
+ullmann_X	6638	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het6
 ullmann_X	6639	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het6Het5
 ullmann_X	6640	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het6Het6
 ullmann_X	6641	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_Het6Phe
 ullmann_X	6642	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_PheHet5
 ullmann_X	6643	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Iodide_PheHet6
-ullmann_X	6644	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het5
+ullmann_X	6644	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het5
 ullmann_X	6645	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het5Het5
 ullmann_X	6646	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het5Het6
 ullmann_X	6647	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het5Phe
-ullmann_X	6648	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het6
+ullmann_X	6648	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het6
 ullmann_X	6649	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het6Het5
 ullmann_X	6650	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het6Het6
 ullmann_X	6651	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_Het6Phe
 ullmann_X	6652	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_PheHet5
 ullmann_X	6653	Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2ccccc2cnc1:S(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_Het6Phe.X-Triflate_PheHet6
-ullmann_X	6654	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Phe
+ullmann_X	6654	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Phe
 ullmann_X	6655	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_PhePhe
-ullmann_X	6656	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Phe
+ullmann_X	6656	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1ccccc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Phe
 ullmann_X	6657	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_PhePhe
-ullmann_X	6658	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cc2cocc2cc1c1cccc(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Phe
+ullmann_X	6658	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cccc(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1)C(F)(F)F>>Cc1cc2cocc2cc1c1cccc(Cc2cc3cocc3cc2OS(=O)(=O)C(F)(F)F)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Phe
 ullmann_X	6659	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_PhePhe
-ullmann_X	6660	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het5
+ullmann_X	6660	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het5
 ullmann_X	6661	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het5Het5
 ullmann_X	6662	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het5Het6
 ullmann_X	6663	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het5Phe
-ullmann_X	6664	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het6
+ullmann_X	6664	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het6
 ullmann_X	6665	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het6Het5
 ullmann_X	6666	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het6Het6
 ullmann_X	6667	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_Het6Phe
 ullmann_X	6668	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_PheHet5
 ullmann_X	6669	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Bromide_PheHet6
-ullmann_X	6670	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Cl)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het5
+ullmann_X	6670	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1Cl)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het5
 ullmann_X	6671	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het5Het5
 ullmann_X	6672	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het5Het6
 ullmann_X	6673	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het5Phe
-ullmann_X	6674	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het6
+ullmann_X	6674	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1Cl)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het6
 ullmann_X	6675	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het6Het5
 ullmann_X	6676	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het6Het6
 ullmann_X	6677	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Chloride_Het6Phe
-ullmann_X	6678	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het5
+ullmann_X	6678	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cocc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het5
 ullmann_X	6679	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het5Het5
 ullmann_X	6680	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het5Het6
 ullmann_X	6681	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het5Phe
-ullmann_X	6682	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het6
+ullmann_X	6682	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cnccc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het6
 ullmann_X	6683	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het6Het5
 ullmann_X	6684	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het6Het6
 ullmann_X	6685	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_Het6Phe
 ullmann_X	6686	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_PheHet5
 ullmann_X	6687	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Iodide_PheHet6
-ullmann_X	6688	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het5
+ullmann_X	6688	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het5
 ullmann_X	6689	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het5Het5
 ullmann_X	6690	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het5Het6
 ullmann_X	6691	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het5Phe
-ullmann_X	6692	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het6
+ullmann_X	6692	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het6
 ullmann_X	6693	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het6Het5
 ullmann_X	6694	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het6Het6
 ullmann_X	6695	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_Het6Phe
 ullmann_X	6696	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F>>Cc1cc2cocc2cc1c1cc2cocc2cc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_PheHet5
 ullmann_X	6697	Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1cc2cocc2cc1c1ccc2ccncc2c1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet5.X-Triflate_PheHet6
-ullmann_X	6698	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Phe
+ullmann_X	6698	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Phe
 ullmann_X	6699	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)ccc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_PhePhe
-ullmann_X	6700	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Phe
+ullmann_X	6700	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1ccccc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Phe
 ullmann_X	6701	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)ccc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_PhePhe
-ullmann_X	6702	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1)C(F)(F)F>>Cc1c(c2cccc(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Phe
+ullmann_X	6702	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1cccc(Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccncc23)c1)C(F)(F)F>>Cc1c(c2cccc(Cc3c(OS(=O)(=O)C(F)(F)F)ccc4ccncc34)c2)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Phe
 ullmann_X	6703	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_PhePhe
-ullmann_X	6704	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het5
+ullmann_X	6704	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het5
 ullmann_X	6705	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het5Het5
 ullmann_X	6706	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het5Het6
 ullmann_X	6707	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het5Phe
-ullmann_X	6708	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het6
+ullmann_X	6708	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het6
 ullmann_X	6709	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1nc2cocc2cc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het6Het5
 ullmann_X	6710	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het6Het6
 ullmann_X	6711	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Br)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_Het6Phe
 ullmann_X	6712	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cc2cocc2cc1Br)C(F)(F)F>>Cc1c2cnccc2ccc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_PheHet5
 ullmann_X	6713	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1c(Br)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Bromide_PheHet6
-ullmann_X	6714	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het5
+ullmann_X	6714	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1Cl)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het5
 ullmann_X	6715	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het5Het5
 ullmann_X	6716	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het5Het6
 ullmann_X	6717	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het5Phe
-ullmann_X	6718	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het6
+ullmann_X	6718	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1Cl)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het6
 ullmann_X	6719	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1nc2cocc2cc1Cl)C(F)(F)F>>Cc1c2cnccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het6Het5
 ullmann_X	6720	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het6Het6
 ullmann_X	6721	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(Cl)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Chloride_Het6Phe
-ullmann_X	6722	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het5
+ullmann_X	6722	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cocc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het5
 ullmann_X	6723	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het5Het5
 ullmann_X	6724	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het5Het6
 ullmann_X	6725	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het5Phe
-ullmann_X	6726	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het6
+ullmann_X	6726	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cnccc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het6
 ullmann_X	6727	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1nc2cocc2cc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het6Het5
 ullmann_X	6728	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het6Het6
 ullmann_X	6729	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(I)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_Het6Phe
 ullmann_X	6730	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1cc2cocc2cc1I)C(F)(F)F>>Cc1c2cnccc2ccc1c1cc2cocc2cc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_PheHet5
 ullmann_X	6731	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1CCc1c(I)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccc2ccncc2c1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Iodide_PheHet6
-ullmann_X	6732	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het5
+ullmann_X	6732	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1cocc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het5
 ullmann_X	6733	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2cocc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het5Het5
 ullmann_X	6734	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het5Het6
 ullmann_X	6735	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1oc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het5Phe
-ullmann_X	6736	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het6
+ullmann_X	6736	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het6
 ullmann_X	6737	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1cc2cocc2nc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het6Het5
 ullmann_X	6738	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het6Het6
 ullmann_X	6739	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12.O=S(=O)(Oc1ccc2ccncc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12)C(F)(F)F>>Cc1c2cnccc2ccc1c1ncc2ccccc2c1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Triflate_PheHet6.X-Triflate_Het6Phe
@@ -6846,13 +6846,13 @@ williamson	6844	CCc1cccnc1O.O=S(=O)(OCCCCc1cccnc1O)C(F)(F)F>>CCc1cccnc1OCCCCc1cc
 williamson	6845	CCc1cccnc1O.O=S(=O)(OC#[N+]CCCCc1cccnc1O)C(F)(F)F>>CCc1cccnc1OC#[N+]CCCCc1cccnc1O	[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):1][#6:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*C#N)]):3][C:4]>>[#6:2][O:1][C:4]	PhenolHeteroaromatic6membered.X-Triflate_Nitrile
 cross_electrophile_coupling	6846	CCCBr.BrCCCCCBr>>CCCCCCCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[C:2][C:4]	X-Bromide_Aliph.X-Bromide_Aliph
 cross_electrophile_coupling	6847	CCCBr.ClCCCCCBr>>CCCCCCCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[C:2][C:4]	X-Bromide_Aliph.X-Chloride_Aliph
-cross_electrophile_coupling	6848	CCCBr.BrCCCc1ccccc1Br>>CCCc1ccccc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Phe
+cross_electrophile_coupling	6848	CCCBr.BrCCCc1ccccc1Br>>CCCc1ccccc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Phe
 cross_electrophile_coupling	6849	CCCBr.BrCCCc1c(Br)ccc2ccccc12>>CCCc1ccc2ccccc2c1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_PhePhe
-cross_electrophile_coupling	6850	CCCBr.BrCCCc1cocc1Br>>CCCc1cocc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het5
+cross_electrophile_coupling	6850	CCCBr.BrCCCc1cocc1Br>>CCCc1cocc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het5
 cross_electrophile_coupling	6851	CCCBr.BrCCCc1c(Br)oc2cocc12>>CCCc1oc2cocc2c1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het5Het5
 cross_electrophile_coupling	6852	CCCBr.BrCCCc1c(Br)oc2ccncc12>>CCCc1oc2ccncc2c1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het5Het6
 cross_electrophile_coupling	6853	CCCBr.BrCCCc1c(Br)oc2ccccc12>>CCCc1oc2ccccc2c1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het5Phe
-cross_electrophile_coupling	6854	CCCBr.BrCCCc1cnccc1Br>>CCCc1ccncc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het6
+cross_electrophile_coupling	6854	CCCBr.BrCCCc1cnccc1Br>>CCCc1ccncc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het6
 cross_electrophile_coupling	6855	CCCBr.BrCCCc1nc2cocc2cc1Br>>CCCc1cc2cocc2nc1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het6Het5
 cross_electrophile_coupling	6856	CCCBr.BrCCCc1c(Br)ncc2ccncc12>>CCCc1ncc2ccncc2c1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het6Het6
 cross_electrophile_coupling	6857	CCCBr.BrCCCc1c(Br)ncc2ccccc12>>CCCc1ncc2ccccc2c1CCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_Het6Phe
@@ -6860,69 +6860,69 @@ cross_electrophile_coupling	6858	CCCBr.BrCCCc1cc2cocc2cc1Br>>CCCc1cc2cocc2cc1CCC
 cross_electrophile_coupling	6859	CCCBr.BrCCCCc1c(Br)ccc2ccncc12>>CCCc1ccc2ccncc2c1CCCCBr	[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[C:2][a:4]	X-Bromide_Aliph.X-Bromide_PheHet6
 cross_electrophile_coupling	6860	CCCCl.ClCCCCCBr>>CCCCCCCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[C:2][C:4]	X-Chloride_Aliph.X-Bromide_Aliph
 cross_electrophile_coupling	6861	CCCCl.ClCCCCCCl>>CCCCCCCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[C:2][C:4]	X-Chloride_Aliph.X-Chloride_Aliph
-cross_electrophile_coupling	6862	CCCCl.ClCCCc1ccccc1Br>>CCCc1ccccc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Phe
+cross_electrophile_coupling	6862	CCCCl.ClCCCc1ccccc1Br>>CCCc1ccccc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Phe
 cross_electrophile_coupling	6863	CCCCl.ClCCCc1c(Br)ccc2ccccc12>>CCCc1ccc2ccccc2c1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_PhePhe
-cross_electrophile_coupling	6864	CCCCl.ClCCCc1cocc1Br>>CCCc1cocc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het5
+cross_electrophile_coupling	6864	CCCCl.ClCCCc1cocc1Br>>CCCc1cocc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het5
 cross_electrophile_coupling	6865	CCCCl.ClCCCc1c(Br)oc2cocc12>>CCCc1oc2cocc2c1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het5Het5
 cross_electrophile_coupling	6866	CCCCl.ClCCCc1c(Br)oc2ccncc12>>CCCc1oc2ccncc2c1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het5Het6
 cross_electrophile_coupling	6867	CCCCl.ClCCCc1c(Br)oc2ccccc12>>CCCc1oc2ccccc2c1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het5Phe
-cross_electrophile_coupling	6868	CCCCl.ClCCCc1cnccc1Br>>CCCc1ccncc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het6
+cross_electrophile_coupling	6868	CCCCl.ClCCCc1cnccc1Br>>CCCc1ccncc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het6
 cross_electrophile_coupling	6869	CCCCl.ClCCCc1nc2cocc2cc1Br>>CCCc1cc2cocc2nc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het6Het5
 cross_electrophile_coupling	6870	CCCCl.ClCCCc1c(Br)ncc2ccncc12>>CCCc1ncc2ccncc2c1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het6Het6
 cross_electrophile_coupling	6871	CCCCl.ClCCCc1c(Br)ncc2ccccc12>>CCCc1ncc2ccccc2c1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_Het6Phe
 cross_electrophile_coupling	6872	CCCCl.ClCCCc1cc2cocc2cc1Br>>CCCc1cc2cocc2cc1CCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_PheHet5
 cross_electrophile_coupling	6873	CCCCl.ClCCCCc1c(Br)ccc2ccncc12>>CCCc1ccc2ccncc2c1CCCCCl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):1][C:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[C:2][a:4]	X-Chloride_Aliph.X-Bromide_PheHet6
-cross_electrophile_coupling	6874	Cc1ccccc1Br.BrCCCc1ccccc1Br>>Cc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Phe.X-Bromide_Aliph
-cross_electrophile_coupling	6875	Cc1ccccc1Br.ClCCCc1ccccc1Br>>Cc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Phe.X-Chloride_Aliph
-cross_electrophile_coupling	6876	Cc1ccccc1Br.Brc1ccccc1Cc1ccccc1Br>>Cc1ccccc1c1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Phe
-cross_electrophile_coupling	6877	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PhePhe
-cross_electrophile_coupling	6878	Cc1ccccc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5
-cross_electrophile_coupling	6879	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het5
-cross_electrophile_coupling	6880	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het6
-cross_electrophile_coupling	6881	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Phe
-cross_electrophile_coupling	6882	Cc1ccccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6
-cross_electrophile_coupling	6883	Cc1ccccc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het5
-cross_electrophile_coupling	6884	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het6
-cross_electrophile_coupling	6885	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Phe
-cross_electrophile_coupling	6886	Cc1ccccc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet5
-cross_electrophile_coupling	6887	Cc1ccccc1Br.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet6
+cross_electrophile_coupling	6874	Cc1ccccc1Br.BrCCCc1ccccc1Br>>Cc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Phe.X-Bromide_Aliph
+cross_electrophile_coupling	6875	Cc1ccccc1Br.ClCCCc1ccccc1Br>>Cc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Phe.X-Chloride_Aliph
+cross_electrophile_coupling	6876	Cc1ccccc1Br.Brc1ccccc1Cc1ccccc1Br>>Cc1ccccc1c1ccccc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Phe
+cross_electrophile_coupling	6877	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PhePhe
+cross_electrophile_coupling	6878	Cc1ccccc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5
+cross_electrophile_coupling	6879	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het5
+cross_electrophile_coupling	6880	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Het6
+cross_electrophile_coupling	6881	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het5Phe
+cross_electrophile_coupling	6882	Cc1ccccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6
+cross_electrophile_coupling	6883	Cc1ccccc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het5
+cross_electrophile_coupling	6884	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Het6
+cross_electrophile_coupling	6885	Cc1ccccc1Br.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_Het6Phe
+cross_electrophile_coupling	6886	Cc1ccccc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet5
+cross_electrophile_coupling	6887	Cc1ccccc1Br.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Phe.X-Bromide_PheHet6
 cross_electrophile_coupling	6888	Cc1c(Br)ccc2ccccc12.BrCCCc1c(Br)ccc2ccccc12>>Cc1c(CCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_PhePhe.X-Bromide_Aliph
 cross_electrophile_coupling	6889	Cc1c(Br)ccc2ccccc12.ClCCCc1c(Br)ccc2ccccc12>>Cc1c(CCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_PhePhe.X-Chloride_Aliph
-cross_electrophile_coupling	6890	Cc1c(Br)ccc2ccccc12.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Phe
+cross_electrophile_coupling	6890	Cc1c(Br)ccc2ccccc12.Brc1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Phe
 cross_electrophile_coupling	6891	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_PhePhe
-cross_electrophile_coupling	6892	Cc1c(Br)ccc2ccccc12.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5
+cross_electrophile_coupling	6892	Cc1c(Br)ccc2ccccc12.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cocc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5
 cross_electrophile_coupling	6893	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2ccc1c1oc2cocc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5Het5
 cross_electrophile_coupling	6894	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2ccc1c1oc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5Het6
 cross_electrophile_coupling	6895	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2ccc1c1oc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het5Phe
-cross_electrophile_coupling	6896	Cc1c(Br)ccc2ccccc12.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6
+cross_electrophile_coupling	6896	Cc1c(Br)ccc2ccccc12.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccncc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6
 cross_electrophile_coupling	6897	Cc1c(Br)ccc2ccccc12.Brc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2nc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6Het5
 cross_electrophile_coupling	6898	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2ccccc2ccc1c1ncc2ccncc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6Het6
 cross_electrophile_coupling	6899	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2ccc1c1ncc2ccccc2c1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_Het6Phe
 cross_electrophile_coupling	6900	Cc1c(Br)ccc2ccccc12.Brc1cc2cocc2cc1Cc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1cc2cocc2cc1Cc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_PheHet5
 cross_electrophile_coupling	6901	Cc1c(Br)ccc2ccccc12.Brc1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12>>Cc1c2ccccc2ccc1c1ccc2ccncc2c1CCc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PhePhe.X-Bromide_PheHet6
-cross_electrophile_coupling	6902	Cc1cocc1Br.BrCCCc1cocc1Br>>Cc1cocc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5.X-Bromide_Aliph
-cross_electrophile_coupling	6903	Cc1cocc1Br.ClCCCc1cocc1Br>>Cc1cocc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5.X-Chloride_Aliph
-cross_electrophile_coupling	6904	Cc1cocc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1cocc1c1ccccc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Phe
-cross_electrophile_coupling	6905	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PhePhe
-cross_electrophile_coupling	6906	Cc1cocc1Br.Brc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5
-cross_electrophile_coupling	6907	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het5
-cross_electrophile_coupling	6908	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het6
-cross_electrophile_coupling	6909	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Phe
-cross_electrophile_coupling	6910	Cc1cocc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6
-cross_electrophile_coupling	6911	Cc1cocc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het5
-cross_electrophile_coupling	6912	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het6
-cross_electrophile_coupling	6913	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Phe
-cross_electrophile_coupling	6914	Cc1cocc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet5
-cross_electrophile_coupling	6915	Cc1cocc1Br.Brc1cocc1CCc1c(Br)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet6
+cross_electrophile_coupling	6902	Cc1cocc1Br.BrCCCc1cocc1Br>>Cc1cocc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5.X-Bromide_Aliph
+cross_electrophile_coupling	6903	Cc1cocc1Br.ClCCCc1cocc1Br>>Cc1cocc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5.X-Chloride_Aliph
+cross_electrophile_coupling	6904	Cc1cocc1Br.Brc1ccccc1Cc1cocc1Br>>Cc1cocc1c1ccccc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Phe
+cross_electrophile_coupling	6905	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ccc2ccccc12>>Cc1cocc1c1ccc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PhePhe
+cross_electrophile_coupling	6906	Cc1cocc1Br.Brc1cocc1Cc1cocc1Br>>Cc1cocc1c1cocc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5
+cross_electrophile_coupling	6907	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1cocc1c1oc2cocc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het5
+cross_electrophile_coupling	6908	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1cocc1c1oc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Het6
+cross_electrophile_coupling	6909	Cc1cocc1Br.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1cocc1c1oc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het5Phe
+cross_electrophile_coupling	6910	Cc1cocc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cocc1c1ccncc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6
+cross_electrophile_coupling	6911	Cc1cocc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2nc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het5
+cross_electrophile_coupling	6912	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1cocc1c1ncc2ccncc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Het6
+cross_electrophile_coupling	6913	Cc1cocc1Br.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1cocc1c1ncc2ccccc2c1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_Het6Phe
+cross_electrophile_coupling	6914	Cc1cocc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cocc1c1cc2cocc2cc1Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet5
+cross_electrophile_coupling	6915	Cc1cocc1Br.Brc1cocc1CCc1c(Br)ccc2ccncc12>>Cc1cocc1c1ccc2ccncc2c1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5.X-Bromide_PheHet6
 cross_electrophile_coupling	6916	Cc1c(Br)oc2cocc12.BrCCCc1c(Br)oc2cocc12>>Cc1c(CCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5Het5.X-Bromide_Aliph
 cross_electrophile_coupling	6917	Cc1c(Br)oc2cocc12.ClCCCc1c(Br)oc2cocc12>>Cc1c(CCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5Het5.X-Chloride_Aliph
-cross_electrophile_coupling	6918	Cc1c(Br)oc2cocc12.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Phe
+cross_electrophile_coupling	6918	Cc1c(Br)oc2cocc12.Brc1ccccc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccccc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Phe
 cross_electrophile_coupling	6919	Cc1c(Br)oc2cocc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_PhePhe
-cross_electrophile_coupling	6920	Cc1c(Br)oc2cocc12.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5
+cross_electrophile_coupling	6920	Cc1c(Br)oc2cocc12.Brc1cocc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cocc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5
 cross_electrophile_coupling	6921	Cc1c(Br)oc2cocc12.Brc1oc2cocc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2cocc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5Het5
 cross_electrophile_coupling	6922	Cc1c(Br)oc2cocc12.Brc1oc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5Het6
 cross_electrophile_coupling	6923	Cc1c(Br)oc2cocc12.Brc1oc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1oc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het5Phe
-cross_electrophile_coupling	6924	Cc1c(Br)oc2cocc12.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6
+cross_electrophile_coupling	6924	Cc1c(Br)oc2cocc12.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccncc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6
 cross_electrophile_coupling	6925	Cc1c(Br)oc2cocc12.Brc1cc2cocc2nc1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1cc2cocc2nc1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6Het5
 cross_electrophile_coupling	6926	Cc1c(Br)oc2cocc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6Het6
 cross_electrophile_coupling	6927	Cc1c(Br)oc2cocc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_Het6Phe
@@ -6930,13 +6930,13 @@ cross_electrophile_coupling	6928	Cc1c(Br)oc2cocc12.Brc1cc2cocc2cc1Cc1c(Br)oc2coc
 cross_electrophile_coupling	6929	Cc1c(Br)oc2cocc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2cocc12>>Cc1c2cocc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het5.X-Bromide_PheHet6
 cross_electrophile_coupling	6930	Cc1c(Br)oc2ccncc12.BrCCCc1c(Br)oc2ccncc12>>Cc1c(CCCc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5Het6.X-Bromide_Aliph
 cross_electrophile_coupling	6931	Cc1c(Br)oc2ccncc12.ClCCCc1c(Br)oc2ccncc12>>Cc1c(CCCc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5Het6.X-Chloride_Aliph
-cross_electrophile_coupling	6932	Cc1c(Br)oc2ccncc12.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Phe
+cross_electrophile_coupling	6932	Cc1c(Br)oc2ccncc12.Brc1ccccc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccccc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Phe
 cross_electrophile_coupling	6933	Cc1c(Br)oc2ccncc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_PhePhe
-cross_electrophile_coupling	6934	Cc1c(Br)oc2ccncc12.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5
+cross_electrophile_coupling	6934	Cc1c(Br)oc2ccncc12.Brc1cocc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cocc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5
 cross_electrophile_coupling	6935	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cnccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5Het5
 cross_electrophile_coupling	6936	Cc1c(Br)oc2ccncc12.Brc1oc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5Het6
 cross_electrophile_coupling	6937	Cc1c(Br)oc2ccncc12.Brc1oc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het5Phe
-cross_electrophile_coupling	6938	Cc1c(Br)oc2ccncc12.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6
+cross_electrophile_coupling	6938	Cc1c(Br)oc2ccncc12.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccncc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6
 cross_electrophile_coupling	6939	Cc1c(Br)oc2ccncc12.Brc1cc2cocc2nc1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6Het5
 cross_electrophile_coupling	6940	Cc1c(Br)oc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6Het6
 cross_electrophile_coupling	6941	Cc1c(Br)oc2ccncc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_Het6Phe
@@ -6944,41 +6944,41 @@ cross_electrophile_coupling	6942	Cc1c(Br)oc2ccncc12.Brc1cc2cocc2cc1Cc1c(Br)oc2cc
 cross_electrophile_coupling	6943	Cc1c(Br)oc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccncc12>>Cc1c2cnccc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Het6.X-Bromide_PheHet6
 cross_electrophile_coupling	6944	Cc1c(Br)oc2ccccc12.BrCCCc1c(Br)oc2ccccc12>>Cc1c(CCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5Phe.X-Bromide_Aliph
 cross_electrophile_coupling	6945	Cc1c(Br)oc2ccccc12.ClCCCc1c(Br)oc2ccccc12>>Cc1c(CCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het5Phe.X-Chloride_Aliph
-cross_electrophile_coupling	6946	Cc1c(Br)oc2ccccc12.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Phe
+cross_electrophile_coupling	6946	Cc1c(Br)oc2ccccc12.Brc1ccccc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Phe
 cross_electrophile_coupling	6947	Cc1c(Br)oc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_PhePhe
-cross_electrophile_coupling	6948	Cc1c(Br)oc2ccccc12.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5
+cross_electrophile_coupling	6948	Cc1c(Br)oc2ccccc12.Brc1cocc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cocc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5
 cross_electrophile_coupling	6949	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2oc1c1oc2cocc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5Het5
 cross_electrophile_coupling	6950	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2oc1c1oc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5Het6
 cross_electrophile_coupling	6951	Cc1c(Br)oc2ccccc12.Brc1oc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1oc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het5Phe
-cross_electrophile_coupling	6952	Cc1c(Br)oc2ccccc12.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6
+cross_electrophile_coupling	6952	Cc1c(Br)oc2ccccc12.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccncc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6
 cross_electrophile_coupling	6953	Cc1c(Br)oc2ccccc12.Brc1cc2cocc2nc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2nc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6Het5
 cross_electrophile_coupling	6954	Cc1c(Br)oc2ccccc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccncc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6Het6
 cross_electrophile_coupling	6955	Cc1c(Br)oc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ncc2ccccc2c1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_Het6Phe
 cross_electrophile_coupling	6956	Cc1c(Br)oc2ccccc12.Brc1cc2cocc2cc1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1cc2cocc2cc1Cc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_PheHet5
 cross_electrophile_coupling	6957	Cc1c(Br)oc2ccccc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccc2ccncc2c1CCc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het5Phe.X-Bromide_PheHet6
-cross_electrophile_coupling	6958	Cc1cnccc1Br.BrCCCc1cnccc1Br>>Cc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6.X-Bromide_Aliph
-cross_electrophile_coupling	6959	Cc1cnccc1Br.ClCCCc1cnccc1Br>>Cc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6.X-Chloride_Aliph
-cross_electrophile_coupling	6960	Cc1cnccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Phe
-cross_electrophile_coupling	6961	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PhePhe
-cross_electrophile_coupling	6962	Cc1cnccc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5
-cross_electrophile_coupling	6963	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het5
-cross_electrophile_coupling	6964	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het6
-cross_electrophile_coupling	6965	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Phe
-cross_electrophile_coupling	6966	Cc1cnccc1Br.Brc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6
-cross_electrophile_coupling	6967	Cc1cnccc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het5
-cross_electrophile_coupling	6968	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het6
-cross_electrophile_coupling	6969	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Phe
-cross_electrophile_coupling	6970	Cc1cnccc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet5
-cross_electrophile_coupling	6971	Cc1cnccc1Br.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet6
+cross_electrophile_coupling	6958	Cc1cnccc1Br.BrCCCc1cnccc1Br>>Cc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6.X-Bromide_Aliph
+cross_electrophile_coupling	6959	Cc1cnccc1Br.ClCCCc1cnccc1Br>>Cc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6.X-Chloride_Aliph
+cross_electrophile_coupling	6960	Cc1cnccc1Br.Brc1ccccc1Cc1cnccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Phe
+cross_electrophile_coupling	6961	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PhePhe
+cross_electrophile_coupling	6962	Cc1cnccc1Br.Brc1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5
+cross_electrophile_coupling	6963	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het5
+cross_electrophile_coupling	6964	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Het6
+cross_electrophile_coupling	6965	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het5Phe
+cross_electrophile_coupling	6966	Cc1cnccc1Br.Brc1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6
+cross_electrophile_coupling	6967	Cc1cnccc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het5
+cross_electrophile_coupling	6968	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Het6
+cross_electrophile_coupling	6969	Cc1cnccc1Br.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_Het6Phe
+cross_electrophile_coupling	6970	Cc1cnccc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet5
+cross_electrophile_coupling	6971	Cc1cnccc1Br.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6.X-Bromide_PheHet6
 cross_electrophile_coupling	6972	Cc1nc2cocc2cc1Br.BrCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1CCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6Het5.X-Bromide_Aliph
 cross_electrophile_coupling	6973	Cc1nc2cocc2cc1Br.ClCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1CCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6Het5.X-Chloride_Aliph
-cross_electrophile_coupling	6974	Cc1nc2cocc2cc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Phe
+cross_electrophile_coupling	6974	Cc1nc2cocc2cc1Br.Brc1ccccc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccccc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Phe
 cross_electrophile_coupling	6975	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)ccc2ccccc12>>Cc1nc2cocc2cc1c1ccc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_PhePhe
-cross_electrophile_coupling	6976	Cc1nc2cocc2cc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5
+cross_electrophile_coupling	6976	Cc1nc2cocc2cc1Br.Brc1cocc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cocc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5
 cross_electrophile_coupling	6977	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)oc2cocc12>>Cc1nc2cocc2cc1c1oc2cocc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5Het5
 cross_electrophile_coupling	6978	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)oc2ccncc12>>Cc1nc2cocc2cc1c1oc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5Het6
 cross_electrophile_coupling	6979	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)oc2ccccc12>>Cc1nc2cocc2cc1c1oc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het5Phe
-cross_electrophile_coupling	6980	Cc1nc2cocc2cc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6
+cross_electrophile_coupling	6980	Cc1nc2cocc2cc1Br.Brc1ccncc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6
 cross_electrophile_coupling	6981	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1cc2cocc2nc1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6Het5
 cross_electrophile_coupling	6982	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12>>Cc1nc2cocc2cc1c1ncc2ccncc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6Het6
 cross_electrophile_coupling	6983	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12>>Cc1nc2cocc2cc1c1ncc2ccccc2c1Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_Het6Phe
@@ -6986,13 +6986,13 @@ cross_electrophile_coupling	6984	Cc1nc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1nc2cocc2cc1B
 cross_electrophile_coupling	6985	Cc1nc2cocc2cc1Br.Brc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12>>Cc1nc2cocc2cc1c1ccc2ccncc2c1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het5.X-Bromide_PheHet6
 cross_electrophile_coupling	6986	Cc1c(Br)ncc2ccncc12.BrCCCc1c(Br)ncc2ccncc12>>Cc1c(CCCc2c(Br)ncc3ccncc23)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6Het6.X-Bromide_Aliph
 cross_electrophile_coupling	6987	Cc1c(Br)ncc2ccncc12.ClCCCc1c(Br)ncc2ccncc12>>Cc1c(CCCc2c(Br)ncc3ccncc23)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6Het6.X-Chloride_Aliph
-cross_electrophile_coupling	6988	Cc1c(Br)ncc2ccncc12.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Phe
+cross_electrophile_coupling	6988	Cc1c(Br)ncc2ccncc12.Brc1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccccc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Phe
 cross_electrophile_coupling	6989	Cc1c(Br)ncc2ccncc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_PhePhe
-cross_electrophile_coupling	6990	Cc1c(Br)ncc2ccncc12.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5
+cross_electrophile_coupling	6990	Cc1c(Br)ncc2ccncc12.Brc1cocc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cocc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5
 cross_electrophile_coupling	6991	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2cocc12>>Cc1c2cnccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5Het5
 cross_electrophile_coupling	6992	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccncc12>>Cc1c2cnccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5Het6
 cross_electrophile_coupling	6993	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)oc2ccccc12>>Cc1c2cnccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het5Phe
-cross_electrophile_coupling	6994	Cc1c(Br)ncc2ccncc12.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6
+cross_electrophile_coupling	6994	Cc1c(Br)ncc2ccncc12.Brc1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccncc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6
 cross_electrophile_coupling	6995	Cc1c(Br)ncc2ccncc12.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6Het5
 cross_electrophile_coupling	6996	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6Het6
 cross_electrophile_coupling	6997	Cc1c(Br)ncc2ccncc12.Brc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_Het6Phe
@@ -7000,13 +7000,13 @@ cross_electrophile_coupling	6998	Cc1c(Br)ncc2ccncc12.Brc1cc2cocc2cc1Cc1c(Br)ncc2
 cross_electrophile_coupling	6999	Cc1c(Br)ncc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12>>Cc1c2cnccc2cnc1c1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Het6.X-Bromide_PheHet6
 cross_electrophile_coupling	7000	Cc1c(Br)ncc2ccccc12.BrCCCc1c(Br)ncc2ccccc12>>Cc1c(CCCc2c(Br)ncc3ccccc23)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6Phe.X-Bromide_Aliph
 cross_electrophile_coupling	7001	Cc1c(Br)ncc2ccccc12.ClCCCc1c(Br)ncc2ccccc12>>Cc1c(CCCc2c(Br)ncc3ccccc23)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_Het6Phe.X-Chloride_Aliph
-cross_electrophile_coupling	7002	Cc1c(Br)ncc2ccccc12.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Phe
+cross_electrophile_coupling	7002	Cc1c(Br)ncc2ccccc12.Brc1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Phe
 cross_electrophile_coupling	7003	Cc1c(Br)ncc2ccccc12.Brc1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_PhePhe
-cross_electrophile_coupling	7004	Cc1c(Br)ncc2ccccc12.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5
+cross_electrophile_coupling	7004	Cc1c(Br)ncc2ccccc12.Brc1cocc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cocc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5
 cross_electrophile_coupling	7005	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2cocc12>>Cc1c2ccccc2cnc1c1oc2cocc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5Het5
 cross_electrophile_coupling	7006	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccncc12>>Cc1c2ccccc2cnc1c1oc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5Het6
 cross_electrophile_coupling	7007	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)oc2ccccc12>>Cc1c2ccccc2cnc1c1oc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het5Phe
-cross_electrophile_coupling	7008	Cc1c(Br)ncc2ccccc12.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6
+cross_electrophile_coupling	7008	Cc1c(Br)ncc2ccccc12.Brc1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccncc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6
 cross_electrophile_coupling	7009	Cc1c(Br)ncc2ccccc12.Brc1cc2cocc2nc1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1cc2cocc2nc1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6Het5
 cross_electrophile_coupling	7010	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)ncc2ccncc12>>Cc1c2ccccc2cnc1c1ncc2ccncc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6Het6
 cross_electrophile_coupling	7011	Cc1c(Br)ncc2ccccc12.Brc1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ncc2ccccc2c1Cc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_Het6Phe
@@ -7014,13 +7014,13 @@ cross_electrophile_coupling	7012	Cc1c(Br)ncc2ccccc12.Brc1cc2cocc2cc1Cc1c(Br)ncc2
 cross_electrophile_coupling	7013	Cc1c(Br)ncc2ccccc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_Het6Phe.X-Bromide_PheHet6
 cross_electrophile_coupling	7014	Cc1cc2cocc2cc1Br.BrCCCc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1CCCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_PheHet5.X-Bromide_Aliph
 cross_electrophile_coupling	7015	Cc1cc2cocc2cc1Br.ClCCCc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1CCCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_PheHet5.X-Chloride_Aliph
-cross_electrophile_coupling	7016	Cc1cc2cocc2cc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Phe
+cross_electrophile_coupling	7016	Cc1cc2cocc2cc1Br.Brc1ccccc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccccc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Phe
 cross_electrophile_coupling	7017	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)ccc2ccccc12>>Cc1cc2cocc2cc1c1ccc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_PhePhe
-cross_electrophile_coupling	7018	Cc1cc2cocc2cc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5
+cross_electrophile_coupling	7018	Cc1cc2cocc2cc1Br.Brc1cocc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cocc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5
 cross_electrophile_coupling	7019	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)oc2cocc12>>Cc1cc2cocc2cc1c1oc2cocc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5Het5
 cross_electrophile_coupling	7020	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)oc2ccncc12>>Cc1cc2cocc2cc1c1oc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5Het6
 cross_electrophile_coupling	7021	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)oc2ccccc12>>Cc1cc2cocc2cc1c1oc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het5Phe
-cross_electrophile_coupling	7022	Cc1cc2cocc2cc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6
+cross_electrophile_coupling	7022	Cc1cc2cocc2cc1Br.Brc1ccncc1Cc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1c1ccncc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6
 cross_electrophile_coupling	7023	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1nc2cocc2cc1Br>>Cc1cc2cocc2cc1c1cc2cocc2nc1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6Het5
 cross_electrophile_coupling	7024	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)ncc2ccncc12>>Cc1cc2cocc2cc1c1ncc2ccncc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6Het6
 cross_electrophile_coupling	7025	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1c(Br)ncc2ccccc12>>Cc1cc2cocc2cc1c1ncc2ccccc2c1Cc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_Het6Phe
@@ -7028,13 +7028,13 @@ cross_electrophile_coupling	7026	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1Cc1cc2cocc2cc1B
 cross_electrophile_coupling	7027	Cc1cc2cocc2cc1Br.Brc1cc2cocc2cc1CCc1c(Br)ccc2ccncc12>>Cc1cc2cocc2cc1c1ccc2ccncc2c1CCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet5.X-Bromide_PheHet6
 cross_electrophile_coupling	7028	CCc1c(Br)ccc2ccncc12.BrCCCCc1c(Br)ccc2ccncc12>>CCc1c(CCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Br[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_PheHet6.X-Bromide_Aliph
 cross_electrophile_coupling	7029	CCc1c(Br)ccc2ccncc12.ClCCCCc1c(Br)ccc2ccncc12>>CCc1c(CCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(Cl[C;D2][C;D3](=[O,S])):3][C:4]>>[a:2][C:4]	X-Bromide_PheHet6.X-Chloride_Aliph
-cross_electrophile_coupling	7030	CCc1c(Br)ccc2ccncc12.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Phe
+cross_electrophile_coupling	7030	CCc1c(Br)ccc2ccncc12.Brc1ccccc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Phe
 cross_electrophile_coupling	7031	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_PhePhe
-cross_electrophile_coupling	7032	CCc1c(Br)ccc2ccncc12.Brc1cocc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5
+cross_electrophile_coupling	7032	CCc1c(Br)ccc2ccncc12.Brc1cocc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cocc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5
 cross_electrophile_coupling	7033	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2cocc12>>CCc1c2cnccc2ccc1c1oc2cocc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5Het5
 cross_electrophile_coupling	7034	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccncc12>>CCc1c2cnccc2ccc1c1oc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5Het6
 cross_electrophile_coupling	7035	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)oc2ccccc12>>CCc1c2cnccc2ccc1c1oc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het5Phe
-cross_electrophile_coupling	7036	CCc1c(Br)ccc2ccncc12.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6
+cross_electrophile_coupling	7036	CCc1c(Br)ccc2ccncc12.Brc1ccncc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccncc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6
 cross_electrophile_coupling	7037	CCc1c(Br)ccc2ccncc12.Brc1cc2cocc2nc1CCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1cc2cocc2nc1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6Het5
 cross_electrophile_coupling	7038	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccncc12>>CCc1c2cnccc2ccc1c1ncc2ccncc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6Het6
 cross_electrophile_coupling	7039	CCc1c(Br)ccc2ccncc12.Brc1ccc2ccncc2c1CCc1c(Br)ncc2ccccc12>>CCc1c2cnccc2ccc1c1ncc2ccccc2c1CCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.X-Bromide_Het6Phe
@@ -7138,7 +7138,7 @@ urea_formation	7136	CCCN=C=O.O=C=NCCCCNC=CNc1ccccc1>>CCCNC(=O)N(C=CNCCCCN=C=O)c1
 urea_formation	7137	CCCN=C=O.O=C=NCCCC1CCc2ccccc2Nc2ccccc2C1>>CCCNC(=O)N1c2ccccc2CCC(CCCN=C=O)Cc2ccccc21	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 urea_formation	7138	CCCN=C=O.O=C=NCCCc1ccc2c(c1)NCCC2>>CCCNC(=O)N1CCCc2ccc(CCCN=C=O)cc21	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 urea_formation	7139	CCCN=C=O.O=C=NCCCc1ccc2c(c1)NC=CC2>>CCCNC(=O)N1C=CCc2ccc(CCCN=C=O)cc21	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-urea_formation	7140	CCCN=C=O.Nc1cccc(CCCCN=C=O)c1N>>CCCNC(=O)Nc1cccc(CCCCN=C=O)c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Phe
+urea_formation	7140	CCCN=C=O.Nc1cccc(CCCCN=C=O)c1N>>CCCNC(=O)Nc1cccc(CCCCN=C=O)c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Phe
 urea_formation	7141	CCCN=C=O.Nc1cc2ccc(CCCCN=C=O)cc2cc1N>>CCCNC(=O)Nc1cc2ccc(CCCCN=C=O)cc2cc1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_PhePhe
 urea_formation	7142	CCCN=C=O.CC(CCCN=C=O)c1ccc(Nc2ccncc2N)cc1>>CCCNC(=O)N(c1ccc(C(C)CCCN=C=O)cc1)c1ccncc1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 urea_formation	7143	CCCN=C=O.Nc1cnccc1Nc1cncc(CCCCN=C=O)c1>>CCCNC(=O)N(c1cncc(CCCCN=C=O)c1)c1ccncc1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7148,11 +7148,11 @@ urea_formation	7146	CCCN=C=O.O=C=NCCCC1CCc2ccncc2Nc2ccccc2C1>>CCCNC(=O)N1c2cnccc
 urea_formation	7147	CCCN=C=O.O=C=NCCCC1CCc2cnccc2Nc2cnccc2C1>>CCCNC(=O)N1c2ccncc2CCC(CCCN=C=O)Cc2ccncc21	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 urea_formation	7148	CCCN=C=O.O=C=NCCCc1cnc2c(c1)NCCC2>>CCCNC(=O)N1CCCc2ncc(CCCN=C=O)cc21	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 urea_formation	7149	CCCN=C=O.O=C=NCCCc1cnc2c(c1)NC=CC2>>CCCNC(=O)N1C=CCc2ncc(CCCN=C=O)cc21	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-urea_formation	7150	CCCN=C=O.Nc1occ(CCCCN=C=O)c1N>>CCCNC(=O)Nc1occ(CCCCN=C=O)c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het5
+urea_formation	7150	CCCN=C=O.Nc1occ(CCCCN=C=O)c1N>>CCCNC(=O)Nc1occ(CCCCN=C=O)c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het5
 urea_formation	7151	CCCN=C=O.Nc1oc2c(CCCCN=C=O)occ2c1N>>CCCNC(=O)Nc1oc2c(CCCCN=C=O)occ2c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het5Het5
 urea_formation	7152	CCCN=C=O.Nc1oc2cc(CCCCN=C=O)ncc2c1N>>CCCNC(=O)Nc1oc2cc(CCCCN=C=O)ncc2c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het5Het6
 urea_formation	7153	CCCN=C=O.Nc1oc2ccc(CCCCN=C=O)cc2c1N>>CCCNC(=O)Nc1oc2ccc(CCCCN=C=O)cc2c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het5Phe
-urea_formation	7154	CCCN=C=O.Nc1nccc(CCCCN=C=O)c1N>>CCCNC(=O)Nc1nccc(CCCCN=C=O)c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het6
+urea_formation	7154	CCCN=C=O.Nc1nccc(CCCCN=C=O)c1N>>CCCNC(=O)Nc1nccc(CCCCN=C=O)c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het6
 urea_formation	7155	CCCN=C=O.Nc1c(CCCN=C=O)nc2cocc2c1N>>CCCNC(=O)Nc1c(CCCN=C=O)nc2cocc2c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het6Het5
 urea_formation	7156	CCCN=C=O.Nc1ncc2cc(CCCCN=C=O)ncc2c1N>>CCCNC(=O)Nc1ncc2cc(CCCCN=C=O)ncc2c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het6Het6
 urea_formation	7157	CCCN=C=O.Nc1ncc2ccc(CCCCN=C=O)cc2c1N>>CCCNC(=O)Nc1ncc2ccc(CCCCN=C=O)cc2c1N	[N;$(N=C=O);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -7174,7 +7174,7 @@ urea_formation	7172	CCC=CN=C=O.O=C=NC=CCCCNC=CNc1ccccc1>>CCC=CNC(=O)N(C=CNCCCC=C
 urea_formation	7173	CCC=CN=C=O.O=C=NC=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CNC(=O)N1c2ccccc2CCC(CCC=CN=C=O)Cc2ccccc21	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 urea_formation	7174	CCC=CN=C=O.O=C=NC=CCCc1ccc2c(c1)NCCC2>>CCC=CNC(=O)N1CCCc2ccc(CCC=CN=C=O)cc21	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 urea_formation	7175	CCC=CN=C=O.O=C=NC=CCCc1ccc2c(c1)NC=CC2>>CCC=CNC(=O)N1C=CCc2ccc(CCC=CN=C=O)cc21	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-urea_formation	7176	CCC=CN=C=O.Nc1cccc(CCCC=CN=C=O)c1N>>CCC=CNC(=O)Nc1cccc(CCCC=CN=C=O)c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Phe
+urea_formation	7176	CCC=CN=C=O.Nc1cccc(CCCC=CN=C=O)c1N>>CCC=CNC(=O)Nc1cccc(CCCC=CN=C=O)c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Phe
 urea_formation	7177	CCC=CN=C=O.Nc1cc2ccc(CCCC=CN=C=O)cc2cc1N>>CCC=CNC(=O)Nc1cc2ccc(CCCC=CN=C=O)cc2cc1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_PhePhe
 urea_formation	7178	CCC=CN=C=O.CC(CCC=CN=C=O)c1ccc(Nc2ccncc2N)cc1>>CCC=CNC(=O)N(c1ccc(C(C)CCC=CN=C=O)cc1)c1ccncc1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 urea_formation	7179	CCC=CN=C=O.Nc1cnccc1Nc1cncc(CCCC=CN=C=O)c1>>CCC=CNC(=O)N(c1cncc(CCCC=CN=C=O)c1)c1ccncc1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7184,11 +7184,11 @@ urea_formation	7182	CCC=CN=C=O.O=C=NC=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CNC(=O)N1c
 urea_formation	7183	CCC=CN=C=O.O=C=NC=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CNC(=O)N1c2ccncc2CCC(CCC=CN=C=O)Cc2ccncc21	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 urea_formation	7184	CCC=CN=C=O.O=C=NC=CCCc1cnc2c(c1)NCCC2>>CCC=CNC(=O)N1CCCc2ncc(CCC=CN=C=O)cc21	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 urea_formation	7185	CCC=CN=C=O.O=C=NC=CCCc1cnc2c(c1)NC=CC2>>CCC=CNC(=O)N1C=CCc2ncc(CCC=CN=C=O)cc21	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-urea_formation	7186	CCC=CN=C=O.Nc1occ(CCCC=CN=C=O)c1N>>CCC=CNC(=O)Nc1occ(CCCC=CN=C=O)c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het5
+urea_formation	7186	CCC=CN=C=O.Nc1occ(CCCC=CN=C=O)c1N>>CCC=CNC(=O)Nc1occ(CCCC=CN=C=O)c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het5
 urea_formation	7187	CCC=CN=C=O.Nc1oc2c(CCCC=CN=C=O)occ2c1N>>CCC=CNC(=O)Nc1oc2c(CCCC=CN=C=O)occ2c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 urea_formation	7188	CCC=CN=C=O.Nc1oc2cc(CCCC=CN=C=O)ncc2c1N>>CCC=CNC(=O)Nc1oc2cc(CCCC=CN=C=O)ncc2c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 urea_formation	7189	CCC=CN=C=O.Nc1oc2ccc(CCCC=CN=C=O)cc2c1N>>CCC=CNC(=O)Nc1oc2ccc(CCCC=CN=C=O)cc2c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-urea_formation	7190	CCC=CN=C=O.Nc1nccc(CCCC=CN=C=O)c1N>>CCC=CNC(=O)Nc1nccc(CCCC=CN=C=O)c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het6
+urea_formation	7190	CCC=CN=C=O.Nc1nccc(CCCC=CN=C=O)c1N>>CCC=CNC(=O)Nc1nccc(CCCC=CN=C=O)c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het6
 urea_formation	7191	CCC=CN=C=O.Nc1c(CCC=CN=C=O)nc2cocc2c1N>>CCC=CNC(=O)Nc1c(CCC=CN=C=O)nc2cocc2c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 urea_formation	7192	CCC=CN=C=O.Nc1ncc2cc(CCCC=CN=C=O)ncc2c1N>>CCC=CNC(=O)Nc1ncc2cc(CCCC=CN=C=O)ncc2c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 urea_formation	7193	CCC=CN=C=O.Nc1ncc2ccc(CCCC=CN=C=O)cc2c1N>>CCC=CNC(=O)Nc1ncc2ccc(CCCC=CN=C=O)cc2c1N	[N;$(N=C=O);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -7210,7 +7210,7 @@ urea_formation	7208	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCCNC=CNc1ccccc1>>CCc1ccccc1NC(
 urea_formation	7209	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1ccccc1NC(=O)N1c2ccccc2CCC(CCc2ccccc2N=C=O)Cc2ccccc21	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 urea_formation	7210	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCc1ccc2c(c1)NCCC2>>CCc1ccccc1NC(=O)N1CCCc2ccc(CCc3ccccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 urea_formation	7211	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCc1ccc2c(c1)NC=CC2>>CCc1ccccc1NC(=O)N1C=CCc2ccc(CCc3ccccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-urea_formation	7212	CCc1ccccc1N=C=O.Nc1cccc(CCCc2ccccc2N=C=O)c1N>>CCc1ccccc1NC(=O)Nc1cccc(CCCc2ccccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Phe
+urea_formation	7212	CCc1ccccc1N=C=O.Nc1cccc(CCCc2ccccc2N=C=O)c1N>>CCc1ccccc1NC(=O)Nc1cccc(CCCc2ccccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Phe
 urea_formation	7213	CCc1ccccc1N=C=O.Nc1cc2ccc(CCCc3ccccc3N=C=O)cc2cc1N>>CCc1ccccc1NC(=O)Nc1cc2ccc(CCCc3ccccc3N=C=O)cc2cc1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_PhePhe
 urea_formation	7214	CCc1ccccc1N=C=O.CC(CCc1ccccc1N=C=O)c1ccc(Nc2ccncc2N)cc1>>CCc1ccccc1NC(=O)N(c1ccc(C(C)CCc2ccccc2N=C=O)cc1)c1ccncc1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 urea_formation	7215	CCc1ccccc1N=C=O.Nc1cnccc1Nc1cncc(CCCc2ccccc2N=C=O)c1>>CCc1ccccc1NC(=O)N(c1cncc(CCCc2ccccc2N=C=O)c1)c1ccncc1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7220,11 +7220,11 @@ urea_formation	7218	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCC1CCc2ccncc2Nc2ccccc2C1>>CCc1
 urea_formation	7219	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1ccccc1NC(=O)N1c2ccncc2CCC(CCc2ccccc2N=C=O)Cc2ccncc21	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 urea_formation	7220	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCc1cnc2c(c1)NCCC2>>CCc1ccccc1NC(=O)N1CCCc2ncc(CCc3ccccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 urea_formation	7221	CCc1ccccc1N=C=O.O=C=Nc1ccccc1CCc1cnc2c(c1)NC=CC2>>CCc1ccccc1NC(=O)N1C=CCc2ncc(CCc3ccccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-urea_formation	7222	CCc1ccccc1N=C=O.Nc1occ(CCCc2ccccc2N=C=O)c1N>>CCc1ccccc1NC(=O)Nc1occ(CCCc2ccccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het5
+urea_formation	7222	CCc1ccccc1N=C=O.Nc1occ(CCCc2ccccc2N=C=O)c1N>>CCc1ccccc1NC(=O)Nc1occ(CCCc2ccccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het5
 urea_formation	7223	CCc1ccccc1N=C=O.Nc1oc2c(CCCc3ccccc3N=C=O)occ2c1N>>CCc1ccccc1NC(=O)Nc1oc2c(CCCc3ccccc3N=C=O)occ2c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het5Het5
 urea_formation	7224	CCc1ccccc1N=C=O.Nc1oc2cc(CCCc3ccccc3N=C=O)ncc2c1N>>CCc1ccccc1NC(=O)Nc1oc2cc(CCCc3ccccc3N=C=O)ncc2c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het5Het6
 urea_formation	7225	CCc1ccccc1N=C=O.Nc1oc2ccc(CCCc3ccccc3N=C=O)cc2c1N>>CCc1ccccc1NC(=O)Nc1oc2ccc(CCCc3ccccc3N=C=O)cc2c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het5Phe
-urea_formation	7226	CCc1ccccc1N=C=O.Nc1nccc(CCCc2ccccc2N=C=O)c1N>>CCc1ccccc1NC(=O)Nc1nccc(CCCc2ccccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het6
+urea_formation	7226	CCc1ccccc1N=C=O.Nc1nccc(CCCc2ccccc2N=C=O)c1N>>CCc1ccccc1NC(=O)Nc1nccc(CCCc2ccccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het6
 urea_formation	7227	CCc1ccccc1N=C=O.Nc1c(CCc2ccccc2N=C=O)nc2cocc2c1N>>CCc1ccccc1NC(=O)Nc1c(CCc2ccccc2N=C=O)nc2cocc2c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het6Het5
 urea_formation	7228	CCc1ccccc1N=C=O.Nc1ncc2cc(CCCc3ccccc3N=C=O)ncc2c1N>>CCc1ccccc1NC(=O)Nc1ncc2cc(CCCc3ccccc3N=C=O)ncc2c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het6Het6
 urea_formation	7229	CCc1ccccc1N=C=O.Nc1ncc2ccc(CCCc3ccccc3N=C=O)cc2c1N>>CCc1ccccc1NC(=O)Nc1ncc2ccc(CCCc3ccccc3N=C=O)cc2c1N	[N;$(N=C=O);$([$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Aromatic.Amine_Primary_Het6Phe
@@ -7246,7 +7246,7 @@ urea_formation	7244	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCCNC=CNc1ccccc1>>CCc1cnccc1NC(
 urea_formation	7245	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCC1CCc2ccccc2Nc2ccccc2C1>>CCc1cnccc1NC(=O)N1c2ccccc2CCC(CCc2cnccc2N=C=O)Cc2ccccc21	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 urea_formation	7246	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCc1ccc2c(c1)NCCC2>>CCc1cnccc1NC(=O)N1CCCc2ccc(CCc3cnccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 urea_formation	7247	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCc1ccc2c(c1)NC=CC2>>CCc1cnccc1NC(=O)N1C=CCc2ccc(CCc3cnccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-urea_formation	7248	CCc1cnccc1N=C=O.Nc1cccc(CCCc2cnccc2N=C=O)c1N>>CCc1cnccc1NC(=O)Nc1cccc(CCCc2cnccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Phe
+urea_formation	7248	CCc1cnccc1N=C=O.Nc1cccc(CCCc2cnccc2N=C=O)c1N>>CCc1cnccc1NC(=O)Nc1cccc(CCCc2cnccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Phe
 urea_formation	7249	CCc1cnccc1N=C=O.Nc1cc2ccc(CCCc3cnccc3N=C=O)cc2cc1N>>CCc1cnccc1NC(=O)Nc1cc2ccc(CCCc3cnccc3N=C=O)cc2cc1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_PhePhe
 urea_formation	7250	CCc1cnccc1N=C=O.CC(CCc1cnccc1N=C=O)c1ccc(Nc2ccncc2N)cc1>>CCc1cnccc1NC(=O)N(c1ccc(C(C)CCc2cnccc2N=C=O)cc1)c1ccncc1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 urea_formation	7251	CCc1cnccc1N=C=O.Nc1cnccc1Nc1cncc(CCCc2cnccc2N=C=O)c1>>CCc1cnccc1NC(=O)N(c1cncc(CCCc2cnccc2N=C=O)c1)c1ccncc1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7256,11 +7256,11 @@ urea_formation	7254	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCC1CCc2ccncc2Nc2ccccc2C1>>CCc1
 urea_formation	7255	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCC1CCc2cnccc2Nc2cnccc2C1>>CCc1cnccc1NC(=O)N1c2ccncc2CCC(CCc2cnccc2N=C=O)Cc2ccncc21	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 urea_formation	7256	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCc1cnc2c(c1)NCCC2>>CCc1cnccc1NC(=O)N1CCCc2ncc(CCc3cnccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 urea_formation	7257	CCc1cnccc1N=C=O.O=C=Nc1ccncc1CCc1cnc2c(c1)NC=CC2>>CCc1cnccc1NC(=O)N1C=CCc2ncc(CCc3cnccc3N=C=O)cc21	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]NC(=O)N([#6:4])[#6:5]	IsoCyanate_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-urea_formation	7258	CCc1cnccc1N=C=O.Nc1occ(CCCc2cnccc2N=C=O)c1N>>CCc1cnccc1NC(=O)Nc1occ(CCCc2cnccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het5
+urea_formation	7258	CCc1cnccc1N=C=O.Nc1occ(CCCc2cnccc2N=C=O)c1N>>CCc1cnccc1NC(=O)Nc1occ(CCCc2cnccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het5
 urea_formation	7259	CCc1cnccc1N=C=O.Nc1oc2c(CCCc3cnccc3N=C=O)occ2c1N>>CCc1cnccc1NC(=O)Nc1oc2c(CCCc3cnccc3N=C=O)occ2c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het5Het5
 urea_formation	7260	CCc1cnccc1N=C=O.Nc1oc2cc(CCCc3cnccc3N=C=O)ncc2c1N>>CCc1cnccc1NC(=O)Nc1oc2cc(CCCc3cnccc3N=C=O)ncc2c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het5Het6
 urea_formation	7261	CCc1cnccc1N=C=O.Nc1oc2ccc(CCCc3cnccc3N=C=O)cc2c1N>>CCc1cnccc1NC(=O)Nc1oc2ccc(CCCc3cnccc3N=C=O)cc2c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het5Phe
-urea_formation	7262	CCc1cnccc1N=C=O.Nc1nccc(CCCc2cnccc2N=C=O)c1N>>CCc1cnccc1NC(=O)Nc1nccc(CCCc2cnccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het6
+urea_formation	7262	CCc1cnccc1N=C=O.Nc1nccc(CCCc2cnccc2N=C=O)c1N>>CCc1cnccc1NC(=O)Nc1nccc(CCCc2cnccc2N=C=O)c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het6
 urea_formation	7263	CCc1cnccc1N=C=O.Nc1c(CCc2cnccc2N=C=O)nc2cocc2c1N>>CCc1cnccc1NC(=O)Nc1c(CCc2cnccc2N=C=O)nc2cocc2c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het6Het5
 urea_formation	7264	CCc1cnccc1N=C=O.Nc1ncc2cc(CCCc3cnccc3N=C=O)ncc2c1N>>CCc1cnccc1NC(=O)Nc1ncc2cc(CCCc3cnccc3N=C=O)ncc2c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het6Het6
 urea_formation	7265	CCc1cnccc1N=C=O.Nc1ncc2ccc(CCCc3cnccc3N=C=O)cc2c1N>>CCc1cnccc1NC(=O)Nc1ncc2ccc(CCCc3cnccc3N=C=O)cc2c1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_Het6Phe
@@ -7268,28 +7268,28 @@ urea_formation	7266	CCc1cnccc1N=C=O.Nc1c(CCc2cnccc2N=C=O)cc2cocc2c1N>>CCc1cnccc1
 urea_formation	7267	CCc1cnccc1N=C=O.Nc1cc2cncc(CCCc3cnccc3N=C=O)c2cc1N>>CCc1cnccc1NC(=O)Nc1cc2cncc(CCCc3cnccc3N=C=O)c2cc1N	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Amine_Primary_PheHet6
 urea_formation	7268	CCc1cnccc1N=C=O.NCc1ccccc1CCCCc1cnccc1N=C=O>>CCc1cnccc1NC(=O)NCc1ccccc1CCCCc1cnccc1N=C=O	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.Benzylamine_primary
 urea_formation	7269	CCc1cnccc1N=C=O.NCc1cnccc1CCCCc1cnccc1N=C=O>>CCc1cnccc1NC(=O)NCc1cnccc1CCCCc1cnccc1N=C=O	[N;$(N=C=O);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][*:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[*:2]NC(=O)N[#6:4]	IsoCyanate_Heteroaromatic.HeteroBenzylamine_primary
-ART	7270	Cc1ccccc1Br.CC1(C)OB(CCCc2ccccc2Br)OC1(C)C>>Cc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.Boronate_SaturatedAliphatic
+ART	7270	Cc1ccccc1Br.CC1(C)OB(CCCc2ccccc2Br)OC1(C)C>>Cc1ccccc1CCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.Boronate_SaturatedAliphatic
 ART	7271	Cc1c(Br)ccc2ccccc12.CC1(C)OB(CCCc2c(Br)ccc3ccccc23)OC1(C)C>>Cc1c(CCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.Boronate_SaturatedAliphatic
-ART	7272	Cc1cocc1Br.CC1(C)OB(CCCc2cocc2Br)OC1(C)C>>Cc1cocc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.Boronate_SaturatedAliphatic
+ART	7272	Cc1cocc1Br.CC1(C)OB(CCCc2cocc2Br)OC1(C)C>>Cc1cocc1CCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.Boronate_SaturatedAliphatic
 ART	7273	Cc1c(Br)oc2cocc12.CC1(C)OB(CCCc2c(Br)oc3cocc23)OC1(C)C>>Cc1c(CCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.Boronate_SaturatedAliphatic
 ART	7274	Cc1c(Br)oc2ccncc12.CC1(C)OB(CCCc2c(Br)oc3ccncc23)OC1(C)C>>Cc1c(CCCc2c(Br)oc3ccncc23)oc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het6.Boronate_SaturatedAliphatic
 ART	7275	Cc1c(Br)oc2ccccc12.CC1(C)OB(CCCc2c(Br)oc3ccccc23)OC1(C)C>>Cc1c(CCCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Phe.Boronate_SaturatedAliphatic
-ART	7276	Cc1cnccc1Br.CC1(C)OB(CCCc2cnccc2Br)OC1(C)C>>Cc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.Boronate_SaturatedAliphatic
+ART	7276	Cc1cnccc1Br.CC1(C)OB(CCCc2cnccc2Br)OC1(C)C>>Cc1cnccc1CCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.Boronate_SaturatedAliphatic
 ART	7277	Cc1nc2cocc2cc1Br.CC1(C)OB(CCCc2nc3cocc3cc2Br)OC1(C)C>>Cc1nc2cocc2cc1CCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.Boronate_SaturatedAliphatic
 ART	7278	Cc1c(Br)ncc2ccncc12.CC1(C)OB(CCCc2c(Br)ncc3ccncc23)OC1(C)C>>Cc1c(CCCc2c(Br)ncc3ccncc23)ncc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][*:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het6.Boronate_SaturatedAliphatic
 ART	7279	Cc1c(Br)ncc2ccccc12.CC1(C)OB(CCCc2c(Br)ncc3ccccc23)OC1(C)C>>Cc1c(CCCc2c(Br)ncc3ccccc23)ncc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Phe.Boronate_SaturatedAliphatic
 ART	7280	Cc1cc2cocc2cc1Br.CC1(C)OB(CCCc2cc3cocc3cc2Br)OC1(C)C>>Cc1cc2cocc2cc1CCCc1cc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_PheHet5.Boronate_SaturatedAliphatic
 ART	7281	CCc1c(Br)ccc2ccncc12.CC1(C)OB(CCCCc2c(Br)ccc3ccncc23)OC1(C)C>>CCc1c(CCCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([O;!D1])[O;!D1]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]);!$(BB);!$([B;R]([O;R])([O;R])[N;R]);!$(B(O)(O)O);!$(B1OBOBO1):3][#6:4]>>[a:2][#6:4]	X-Bromide_PheHet6.Boronate_SaturatedAliphatic
-deoxygenative_coupling	7282	Cc1ccccc1Br.OCCCCCc1ccccc1Br>>Cc1ccccc1CCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.PrimaryAlcoholAliphatic
-deoxygenative_coupling	7283	Cc1ccccc1Br.OCc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Cc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.PrimaryAlcoholAromatic
-deoxygenative_coupling	7284	Cc1ccccc1Br.CCC(O)CCCCc1ccccc1Br>>CCC(CCCCc1ccccc1Br)c1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticAcyclic
-deoxygenative_coupling	7285	Cc1ccccc1Br.OC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC12>>Cc1ccccc1C1C2CCCCC2C2CCC(Cc3ccccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticCyclic
-deoxygenative_coupling	7286	Cc1ccccc1Br.OC(c1ccccc1)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1C(c1ccccc1)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticAcyclic
-deoxygenative_coupling	7287	Cc1ccccc1Br.OC1c2ccccc2-c2ccc(Cc3ccccc3Br)cc21>>Cc1ccccc1C1c2ccccc2c2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticCyclic
-deoxygenative_coupling	7288	Cc1ccccc1Br.CCCC(O)c1ccccc1CCc1ccccc1Br>>CCCC(c1ccccc1C)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixAcyclic
-deoxygenative_coupling	7289	Cc1ccccc1Br.OC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC12>>Cc1ccccc1C1c2cc(Cc3ccccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixCyclic
-deoxygenative_coupling	7290	Cc1ccccc1Br.CC(Cc1ccccc1Br)CC(C)(C)O>>Cc1ccccc1C(C)(C)CC(C)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.TertiaryAlcoholAcyclic
-deoxygenative_coupling	7291	Cc1ccccc1Br.CC1(O)CCCC(Cc2ccccc2Br)C1>>Cc1ccccc1C1(C)CCCC(Cc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.TertiaryAlcoholCyclic
+deoxygenative_coupling	7282	Cc1ccccc1Br.OCCCCCc1ccccc1Br>>Cc1ccccc1CCCCCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.PrimaryAlcoholAliphatic
+deoxygenative_coupling	7283	Cc1ccccc1Br.OCc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Cc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.PrimaryAlcoholAromatic
+deoxygenative_coupling	7284	Cc1ccccc1Br.CCC(O)CCCCc1ccccc1Br>>CCC(CCCCc1ccccc1Br)c1ccccc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticAcyclic
+deoxygenative_coupling	7285	Cc1ccccc1Br.OC1C2CCCCC2C2CCC(Cc3ccccc3Br)CC12>>Cc1ccccc1C1C2CCCCC2C2CCC(Cc3ccccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAliphaticCyclic
+deoxygenative_coupling	7286	Cc1ccccc1Br.OC(c1ccccc1)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1C(c1ccccc1)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticAcyclic
+deoxygenative_coupling	7287	Cc1ccccc1Br.OC1c2ccccc2-c2ccc(Cc3ccccc3Br)cc21>>Cc1ccccc1C1c2ccccc2c2ccc(Cc3ccccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholAromaticCyclic
+deoxygenative_coupling	7288	Cc1ccccc1Br.CCCC(O)c1ccccc1CCc1ccccc1Br>>CCCC(c1ccccc1C)c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixAcyclic
+deoxygenative_coupling	7289	Cc1ccccc1Br.OC1c2cc(Cc3ccccc3Br)ccc2C2CCCCC12>>Cc1ccccc1C1c2cc(Cc3ccccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.SecondaryAlcoholMixCyclic
+deoxygenative_coupling	7290	Cc1ccccc1Br.CC(Cc1ccccc1Br)CC(C)(C)O>>Cc1ccccc1C(C)(C)CC(C)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.TertiaryAlcoholAcyclic
+deoxygenative_coupling	7291	Cc1ccccc1Br.CC1(O)CCCC(Cc2ccccc2Br)C1>>Cc1ccccc1C1(C)CCCC(Cc2ccccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.TertiaryAlcoholCyclic
 deoxygenative_coupling	7292	Cc1c(Br)ccc2ccccc12.OCCCCCc1c(Br)ccc2ccccc12>>Cc1c(CCCCCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.PrimaryAlcoholAliphatic
 deoxygenative_coupling	7293	Cc1c(Br)ccc2ccccc12.OCc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Cc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.PrimaryAlcoholAromatic
 deoxygenative_coupling	7294	Cc1c(Br)ccc2ccccc12.CCC(O)CCCCc1c(Br)ccc2ccccc12>>CCC(CCCCc1c(Br)ccc2ccccc12)c1ccc2ccccc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.SecondaryAlcoholAliphaticAcyclic
@@ -7300,16 +7300,16 @@ deoxygenative_coupling	7298	Cc1c(Br)ccc2ccccc12.CCCC(O)c1ccccc1CCc1c(Br)ccc2cccc
 deoxygenative_coupling	7299	Cc1c(Br)ccc2ccccc12.OC1c2cc(Cc3c(Br)ccc4ccccc34)ccc2C2CCCCC12>>Cc1c(C2c3cc(Cc4c(Br)ccc5ccccc45)ccc3C3CCCCC32)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.SecondaryAlcoholMixCyclic
 deoxygenative_coupling	7300	Cc1c(Br)ccc2ccccc12.CC(Cc1c(Br)ccc2ccccc12)CC(C)(C)O>>Cc1c(C(C)(C)CC(C)Cc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.TertiaryAlcoholAcyclic
 deoxygenative_coupling	7301	Cc1c(Br)ccc2ccccc12.CC1(O)CCCC(Cc2c(Br)ccc3ccccc23)C1>>Cc1c(C2(C)CCCC(Cc3c(Br)ccc4ccccc34)C2)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.TertiaryAlcoholCyclic
-deoxygenative_coupling	7302	Cc1cocc1Br.OCCCCCc1cocc1Br>>Cc1cocc1CCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.PrimaryAlcoholAliphatic
-deoxygenative_coupling	7303	Cc1cocc1Br.OCc1ccccc1CCc1cocc1Br>>Cc1cocc1Cc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.PrimaryAlcoholAromatic
-deoxygenative_coupling	7304	Cc1cocc1Br.CCC(O)CCCCc1cocc1Br>>CCC(CCCCc1cocc1Br)c1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticAcyclic
-deoxygenative_coupling	7305	Cc1cocc1Br.OC1C2CCCCC2C2CCC(Cc3cocc3Br)CC12>>Cc1cocc1C1C2CCCCC2C2CCC(Cc3cocc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticCyclic
-deoxygenative_coupling	7306	Cc1cocc1Br.OC(c1ccccc1)c1ccccc1CCc1cocc1Br>>Cc1cocc1C(c1ccccc1)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticAcyclic
-deoxygenative_coupling	7307	Cc1cocc1Br.OC1c2ccccc2-c2ccc(Cc3cocc3Br)cc21>>Cc1cocc1C1c2ccccc2c2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticCyclic
-deoxygenative_coupling	7308	Cc1cocc1Br.CCCC(O)c1ccccc1CCc1cocc1Br>>CCCC(c1cocc1C)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixAcyclic
-deoxygenative_coupling	7309	Cc1cocc1Br.OC1c2cc(Cc3cocc3Br)ccc2C2CCCCC12>>Cc1cocc1C1c2cc(Cc3cocc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixCyclic
-deoxygenative_coupling	7310	Cc1cocc1Br.CC(Cc1cocc1Br)CC(C)(C)O>>Cc1cocc1C(C)(C)CC(C)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.TertiaryAlcoholAcyclic
-deoxygenative_coupling	7311	Cc1cocc1Br.CC1(O)CCCC(Cc2cocc2Br)C1>>Cc1cocc1C1(C)CCCC(Cc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.TertiaryAlcoholCyclic
+deoxygenative_coupling	7302	Cc1cocc1Br.OCCCCCc1cocc1Br>>Cc1cocc1CCCCCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.PrimaryAlcoholAliphatic
+deoxygenative_coupling	7303	Cc1cocc1Br.OCc1ccccc1CCc1cocc1Br>>Cc1cocc1Cc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.PrimaryAlcoholAromatic
+deoxygenative_coupling	7304	Cc1cocc1Br.CCC(O)CCCCc1cocc1Br>>CCC(CCCCc1cocc1Br)c1cocc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticAcyclic
+deoxygenative_coupling	7305	Cc1cocc1Br.OC1C2CCCCC2C2CCC(Cc3cocc3Br)CC12>>Cc1cocc1C1C2CCCCC2C2CCC(Cc3cocc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAliphaticCyclic
+deoxygenative_coupling	7306	Cc1cocc1Br.OC(c1ccccc1)c1ccccc1CCc1cocc1Br>>Cc1cocc1C(c1ccccc1)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticAcyclic
+deoxygenative_coupling	7307	Cc1cocc1Br.OC1c2ccccc2-c2ccc(Cc3cocc3Br)cc21>>Cc1cocc1C1c2ccccc2c2ccc(Cc3cocc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholAromaticCyclic
+deoxygenative_coupling	7308	Cc1cocc1Br.CCCC(O)c1ccccc1CCc1cocc1Br>>CCCC(c1cocc1C)c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixAcyclic
+deoxygenative_coupling	7309	Cc1cocc1Br.OC1c2cc(Cc3cocc3Br)ccc2C2CCCCC12>>Cc1cocc1C1c2cc(Cc3cocc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.SecondaryAlcoholMixCyclic
+deoxygenative_coupling	7310	Cc1cocc1Br.CC(Cc1cocc1Br)CC(C)(C)O>>Cc1cocc1C(C)(C)CC(C)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.TertiaryAlcoholAcyclic
+deoxygenative_coupling	7311	Cc1cocc1Br.CC1(O)CCCC(Cc2cocc2Br)C1>>Cc1cocc1C1(C)CCCC(Cc2cocc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.TertiaryAlcoholCyclic
 deoxygenative_coupling	7312	Cc1c(Br)oc2cocc12.OCCCCCc1c(Br)oc2cocc12>>Cc1c(CCCCCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.PrimaryAlcoholAliphatic
 deoxygenative_coupling	7313	Cc1c(Br)oc2cocc12.OCc1ccccc1CCc1c(Br)oc2cocc12>>Cc1c(Cc2ccccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.PrimaryAlcoholAromatic
 deoxygenative_coupling	7314	Cc1c(Br)oc2cocc12.CCC(O)CCCCc1c(Br)oc2cocc12>>CCC(CCCCc1c(Br)oc2cocc12)c1oc2cocc2c1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.SecondaryAlcoholAliphaticAcyclic
@@ -7340,16 +7340,16 @@ deoxygenative_coupling	7338	Cc1c(Br)oc2ccccc12.CCCC(O)c1ccccc1CCc1c(Br)oc2ccccc1
 deoxygenative_coupling	7339	Cc1c(Br)oc2ccccc12.OC1c2cc(Cc3c(Br)oc4ccccc34)ccc2C2CCCCC12>>Cc1c(C2c3cc(Cc4c(Br)oc5ccccc45)ccc3C3CCCCC32)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Phe.SecondaryAlcoholMixCyclic
 deoxygenative_coupling	7340	Cc1c(Br)oc2ccccc12.CC(Cc1c(Br)oc2ccccc12)CC(C)(C)O>>Cc1c(C(C)(C)CC(C)Cc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Phe.TertiaryAlcoholAcyclic
 deoxygenative_coupling	7341	Cc1c(Br)oc2ccccc12.CC1(O)CCCC(Cc2c(Br)oc3ccccc23)C1>>Cc1c(C2(C)CCCC(Cc3c(Br)oc4ccccc34)C2)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Phe.TertiaryAlcoholCyclic
-deoxygenative_coupling	7342	Cc1cnccc1Br.OCCCCCc1cnccc1Br>>Cc1cnccc1CCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.PrimaryAlcoholAliphatic
-deoxygenative_coupling	7343	Cc1cnccc1Br.OCc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Cc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.PrimaryAlcoholAromatic
-deoxygenative_coupling	7344	Cc1cnccc1Br.CCC(O)CCCCc1cnccc1Br>>CCC(CCCCc1cnccc1Br)c1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticAcyclic
-deoxygenative_coupling	7345	Cc1cnccc1Br.OC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC12>>Cc1cnccc1C1C2CCCCC2C2CCC(Cc3cnccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticCyclic
-deoxygenative_coupling	7346	Cc1cnccc1Br.OC(c1ccccc1)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1C(c1ccccc1)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticAcyclic
-deoxygenative_coupling	7347	Cc1cnccc1Br.OC1c2ccccc2-c2ccc(Cc3cnccc3Br)cc21>>Cc1cnccc1C1c2ccccc2c2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticCyclic
-deoxygenative_coupling	7348	Cc1cnccc1Br.CCCC(O)c1ccccc1CCc1cnccc1Br>>CCCC(c1ccncc1C)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixAcyclic
-deoxygenative_coupling	7349	Cc1cnccc1Br.OC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC12>>Cc1cnccc1C1c2cc(Cc3cnccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixCyclic
-deoxygenative_coupling	7350	Cc1cnccc1Br.CC(Cc1cnccc1Br)CC(C)(C)O>>Cc1cnccc1C(C)(C)CC(C)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.TertiaryAlcoholAcyclic
-deoxygenative_coupling	7351	Cc1cnccc1Br.CC1(O)CCCC(Cc2cnccc2Br)C1>>Cc1cnccc1C1(C)CCCC(Cc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.TertiaryAlcoholCyclic
+deoxygenative_coupling	7342	Cc1cnccc1Br.OCCCCCc1cnccc1Br>>Cc1cnccc1CCCCCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.PrimaryAlcoholAliphatic
+deoxygenative_coupling	7343	Cc1cnccc1Br.OCc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Cc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.PrimaryAlcoholAromatic
+deoxygenative_coupling	7344	Cc1cnccc1Br.CCC(O)CCCCc1cnccc1Br>>CCC(CCCCc1cnccc1Br)c1ccncc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticAcyclic
+deoxygenative_coupling	7345	Cc1cnccc1Br.OC1C2CCCCC2C2CCC(Cc3cnccc3Br)CC12>>Cc1cnccc1C1C2CCCCC2C2CCC(Cc3cnccc3Br)CC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAliphaticCyclic
+deoxygenative_coupling	7346	Cc1cnccc1Br.OC(c1ccccc1)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1C(c1ccccc1)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticAcyclic
+deoxygenative_coupling	7347	Cc1cnccc1Br.OC1c2ccccc2-c2ccc(Cc3cnccc3Br)cc21>>Cc1cnccc1C1c2ccccc2c2ccc(Cc3cnccc3Br)cc21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholAromaticCyclic
+deoxygenative_coupling	7348	Cc1cnccc1Br.CCCC(O)c1ccccc1CCc1cnccc1Br>>CCCC(c1ccncc1C)c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixAcyclic
+deoxygenative_coupling	7349	Cc1cnccc1Br.OC1c2cc(Cc3cnccc3Br)ccc2C2CCCCC12>>Cc1cnccc1C1c2cc(Cc3cnccc3Br)ccc2C2CCCCC21	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.SecondaryAlcoholMixCyclic
+deoxygenative_coupling	7350	Cc1cnccc1Br.CC(Cc1cnccc1Br)CC(C)(C)O>>Cc1cnccc1C(C)(C)CC(C)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.TertiaryAlcoholAcyclic
+deoxygenative_coupling	7351	Cc1cnccc1Br.CC1(O)CCCC(Cc2cnccc2Br)C1>>Cc1cnccc1C1(C)CCCC(Cc2cnccc2Br)C1	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.TertiaryAlcoholCyclic
 deoxygenative_coupling	7352	Cc1nc2cocc2cc1Br.OCCCCCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1CCCCCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2,D1;!$(C[a])]);!$(OC=*);!$(OC#*):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.PrimaryAlcoholAliphatic
 deoxygenative_coupling	7353	Cc1nc2cocc2cc1Br.OCc1ccccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1Cc1ccccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;D2][a]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.PrimaryAlcoholAromatic
 deoxygenative_coupling	7354	Cc1nc2cocc2cc1Br.CCC(O)CCCCc1nc2cocc2cc1Br>>CCC(CCCCc1nc2cocc2cc1Br)c1cc2cocc2nc1C	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(O[C;!R;D3]([A])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.SecondaryAlcoholAliphaticAcyclic
@@ -7400,48 +7400,48 @@ deoxygenative_coupling	7398	CCc1c(Br)ccc2ccncc12.CCCC(O)c1ccccc1CCCc1c(Br)ccc2cc
 deoxygenative_coupling	7399	CCc1c(Br)ccc2ccncc12.OC1c2cc(CCc3c(Br)ccc4ccncc34)ccc2C2CCCCC12>>CCc1c(C2c3cc(CCc4c(Br)ccc5ccncc45)ccc3C3CCCCC32)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(O[C;R;D3]([a])[A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PheHet6.SecondaryAlcoholMixCyclic
 deoxygenative_coupling	7400	CCc1c(Br)ccc2ccncc12.CC(CCc1c(Br)ccc2ccncc12)CC(C)(C)O>>CCc1c(C(C)(C)CC(C)CCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(O[C;!R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PheHet6.TertiaryAlcoholAcyclic
 deoxygenative_coupling	7401	CCc1c(Br)ccc2ccncc12.CC1(O)CCCC(CCc2c(Br)ccc3ccncc23)C1>>CCc1c(C2(C)CCCC(CCc3c(Br)ccc4ccncc34)C2)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(O[C;R;D4]([a,A])([a,A])[a,A]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PheHet6.TertiaryAlcoholCyclic
-suzuki	7402	Cc1ccccc1Br.OB1CCCC(Cc2ccccc2Br)O1>>Cc1ccccc1CCCC(O)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.BoronicCyclic
-suzuki	7403	Cc1ccccc1Br.OB(O)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.Boronic_Aromatic
-suzuki	7404	Cc1ccccc1Br.OB(O)c1ccncc1CCc1ccccc1Br>>Cc1ccccc1c1ccncc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.Boronic_Heteroaromatic
-suzuki	7405	Cc1ccccc1Br.CC1(C)OB(c2ccccc2CCc2ccccc2Br)OC1(C)C>>Cc1ccccc1c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.Boronate_Aromatic
-suzuki	7406	Cc1ccccc1Br.CC1(C)OB(c2ccncc2CCc2ccccc2Br)OC1(C)C>>Cc1ccccc1c1ccncc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.Boronate_Heteroaromatic
-suzuki	7407	Cc1ccccc1Br.F[B-](F)(F)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.TrifluoroBoronateAromatic
+suzuki	7402	Cc1ccccc1Br.OB1CCCC(Cc2ccccc2Br)O1>>Cc1ccccc1CCCC(O)Cc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.BoronicCyclic
+suzuki	7403	Cc1ccccc1Br.OB(O)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.Boronic_Aromatic
+suzuki	7404	Cc1ccccc1Br.OB(O)c1ccncc1CCc1ccccc1Br>>Cc1ccccc1c1ccncc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Phe.Boronic_Heteroaromatic
+suzuki	7405	Cc1ccccc1Br.CC1(C)OB(c2ccccc2CCc2ccccc2Br)OC1(C)C>>Cc1ccccc1c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.Boronate_Aromatic
+suzuki	7406	Cc1ccccc1Br.CC1(C)OB(c2ccncc2CCc2ccccc2Br)OC1(C)C>>Cc1ccccc1c1ccncc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.Boronate_Heteroaromatic
+suzuki	7407	Cc1ccccc1Br.F[B-](F)(F)c1ccccc1CCc1ccccc1Br>>Cc1ccccc1c1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Phe.TrifluoroBoronateAromatic
 suzuki	7408	Cc1c(Br)ccc2ccccc12.OB1CCCC(Cc2c(Br)ccc3ccccc23)O1>>Cc1c(CCCC(O)Cc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.BoronicCyclic
 suzuki	7409	Cc1c(Br)ccc2ccccc12.OB(O)c1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(c2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.Boronic_Aromatic
 suzuki	7410	Cc1c(Br)ccc2ccccc12.OB(O)c1ccncc1CCc1c(Br)ccc2ccccc12>>Cc1c(c2ccncc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_PhePhe.Boronic_Heteroaromatic
 suzuki	7411	Cc1c(Br)ccc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(Br)ccc3ccccc23)OC1(C)C>>Cc1c2ccccc2ccc1c1ccccc1CCc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.Boronate_Aromatic
 suzuki	7412	Cc1c(Br)ccc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(Br)ccc3ccccc23)OC1(C)C>>Cc1c2ccccc2ccc1c1ccncc1CCc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.Boronate_Heteroaromatic
 suzuki	7413	Cc1c(Br)ccc2ccccc12.F[B-](F)(F)c1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1CCc1c(Br)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_PhePhe.TrifluoroBoronateAromatic
-suzuki	7414	Cc1ccccc1I.OB1CCCC(Cc2ccccc2I)O1>>Cc1ccccc1CCCC(O)Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Phe.BoronicCyclic
-suzuki	7415	Cc1ccccc1I.OB(O)c1ccccc1CCc1ccccc1I>>Cc1ccccc1c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Phe.Boronic_Aromatic
-suzuki	7416	Cc1ccccc1I.OB(O)c1ccncc1CCc1ccccc1I>>Cc1ccccc1c1ccncc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Phe.Boronic_Heteroaromatic
-suzuki	7417	Cc1ccccc1I.CC1(C)OB(c2ccccc2CCc2ccccc2I)OC1(C)C>>Cc1ccccc1c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.Boronate_Aromatic
-suzuki	7418	Cc1ccccc1I.CC1(C)OB(c2ccncc2CCc2ccccc2I)OC1(C)C>>Cc1ccccc1c1ccncc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.Boronate_Heteroaromatic
-suzuki	7419	Cc1ccccc1I.F[B-](F)(F)c1ccccc1CCc1ccccc1I>>Cc1ccccc1c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.TrifluoroBoronateAromatic
+suzuki	7414	Cc1ccccc1I.OB1CCCC(Cc2ccccc2I)O1>>Cc1ccccc1CCCC(O)Cc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Phe.BoronicCyclic
+suzuki	7415	Cc1ccccc1I.OB(O)c1ccccc1CCc1ccccc1I>>Cc1ccccc1c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Phe.Boronic_Aromatic
+suzuki	7416	Cc1ccccc1I.OB(O)c1ccncc1CCc1ccccc1I>>Cc1ccccc1c1ccncc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Phe.Boronic_Heteroaromatic
+suzuki	7417	Cc1ccccc1I.CC1(C)OB(c2ccccc2CCc2ccccc2I)OC1(C)C>>Cc1ccccc1c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.Boronate_Aromatic
+suzuki	7418	Cc1ccccc1I.CC1(C)OB(c2ccncc2CCc2ccccc2I)OC1(C)C>>Cc1ccccc1c1ccncc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.Boronate_Heteroaromatic
+suzuki	7419	Cc1ccccc1I.F[B-](F)(F)c1ccccc1CCc1ccccc1I>>Cc1ccccc1c1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Phe.TrifluoroBoronateAromatic
 suzuki	7420	Cc1c(I)ccc2ccccc12.OB1CCCC(Cc2c(I)ccc3ccccc23)O1>>Cc1c(CCCC(O)Cc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_PhePhe.BoronicCyclic
 suzuki	7421	Cc1c(I)ccc2ccccc12.OB(O)c1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(c2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_PhePhe.Boronic_Aromatic
 suzuki	7422	Cc1c(I)ccc2ccccc12.OB(O)c1ccncc1CCc1c(I)ccc2ccccc12>>Cc1c(c2ccncc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_PhePhe.Boronic_Heteroaromatic
 suzuki	7423	Cc1c(I)ccc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(I)ccc3ccccc23)OC1(C)C>>Cc1c2ccccc2ccc1c1ccccc1CCc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.Boronate_Aromatic
 suzuki	7424	Cc1c(I)ccc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(I)ccc3ccccc23)OC1(C)C>>Cc1c2ccccc2ccc1c1ccncc1CCc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.Boronate_Heteroaromatic
 suzuki	7425	Cc1c(I)ccc2ccccc12.F[B-](F)(F)c1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c2ccccc2ccc1c1ccccc1CCc1c(I)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_PhePhe.TrifluoroBoronateAromatic
-suzuki	7426	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCCB(O)O2)c1)C(F)(F)F>>Cc1cccc(CCCC(O)Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Phe.BoronicCyclic
-suzuki	7427	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2B(O)O)c1)C(F)(F)F>>Cc1cccc(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Phe.Boronic_Aromatic
-suzuki	7428	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cnccc2B(O)O)c1)C(F)(F)F>>Cc1cccc(c2ccncc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Phe.Boronic_Heteroaromatic
-suzuki	7429	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(C)OB(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)OC1(C)C>>Cc1cccc(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.Boronate_Aromatic
-suzuki	7430	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(C)OB(c2ccncc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)OC1(C)C>>Cc1cccc(c2ccncc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.Boronate_Heteroaromatic
-suzuki	7431	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2[B-](F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.TrifluoroBoronateAromatic
+suzuki	7426	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CC2CCCB(O)O2)c1)C(F)(F)F>>Cc1cccc(CCCC(O)Cc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Phe.BoronicCyclic
+suzuki	7427	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2B(O)O)c1)C(F)(F)F>>Cc1cccc(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Phe.Boronic_Aromatic
+suzuki	7428	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cnccc2B(O)O)c1)C(F)(F)F>>Cc1cccc(c2ccncc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Phe.Boronic_Heteroaromatic
+suzuki	7429	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(C)OB(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)OC1(C)C>>Cc1cccc(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.Boronate_Aromatic
+suzuki	7430	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.CC1(C)OB(c2ccncc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)OC1(C)C>>Cc1cccc(c2ccncc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.Boronate_Heteroaromatic
+suzuki	7431	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2[B-](F)(F)F)c1)C(F)(F)F>>Cc1cccc(c2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Phe.TrifluoroBoronateAromatic
 suzuki	7432	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CC1CCCB(O)O1)C(F)(F)F>>Cc1c(CCCC(O)Cc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_PhePhe.BoronicCyclic
 suzuki	7433	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1c(c2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_PhePhe.Boronic_Aromatic
 suzuki	7434	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1c(c2ccncc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_PhePhe.Boronic_Heteroaromatic
 suzuki	7435	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)OC1(C)C>>Cc1c2ccccc2ccc1c1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.Boronate_Aromatic
 suzuki	7436	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)OC1(C)C>>Cc1c2ccccc2ccc1c1ccncc1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.Boronate_Heteroaromatic
 suzuki	7437	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1[B-](F)(F)F)C(F)(F)F>>Cc1c2ccccc2ccc1c1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_PhePhe.TrifluoroBoronateAromatic
-suzuki	7438	Cc1cocc1Br.OB1CCCC(Cc2cocc2Br)O1>>Cc1cocc1CCCC(O)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.BoronicCyclic
-suzuki	7439	Cc1cocc1Br.OB(O)c1ccccc1CCc1cocc1Br>>Cc1cocc1c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.Boronic_Aromatic
-suzuki	7440	Cc1cocc1Br.OB(O)c1ccncc1CCc1cocc1Br>>Cc1cocc1c1ccncc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.Boronic_Heteroaromatic
-suzuki	7441	Cc1cocc1Br.CC1(C)OB(c2ccccc2CCc2cocc2Br)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.Boronate_Aromatic
-suzuki	7442	Cc1cocc1Br.CC1(C)OB(c2ccncc2CCc2cocc2Br)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.Boronate_Heteroaromatic
-suzuki	7443	Cc1cocc1Br.F[B-](F)(F)c1ccccc1CCc1cocc1Br>>Cc1cocc1c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.TrifluoroBoronateAromatic
+suzuki	7438	Cc1cocc1Br.OB1CCCC(Cc2cocc2Br)O1>>Cc1cocc1CCCC(O)Cc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.BoronicCyclic
+suzuki	7439	Cc1cocc1Br.OB(O)c1ccccc1CCc1cocc1Br>>Cc1cocc1c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.Boronic_Aromatic
+suzuki	7440	Cc1cocc1Br.OB(O)c1ccncc1CCc1cocc1Br>>Cc1cocc1c1ccncc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5.Boronic_Heteroaromatic
+suzuki	7441	Cc1cocc1Br.CC1(C)OB(c2ccccc2CCc2cocc2Br)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.Boronate_Aromatic
+suzuki	7442	Cc1cocc1Br.CC1(C)OB(c2ccncc2CCc2cocc2Br)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.Boronate_Heteroaromatic
+suzuki	7443	Cc1cocc1Br.F[B-](F)(F)c1ccccc1CCc1cocc1Br>>Cc1cocc1c1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Het5.TrifluoroBoronateAromatic
 suzuki	7444	Cc1c(Br)oc2cocc12.OB1CCCC(Cc2c(Br)oc3cocc23)O1>>Cc1c(CCCC(O)Cc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.BoronicCyclic
 suzuki	7445	Cc1c(Br)oc2cocc12.OB(O)c1ccccc1CCc1c(Br)oc2cocc12>>Cc1c(c2ccccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.Boronic_Aromatic
 suzuki	7446	Cc1c(Br)oc2cocc12.OB(O)c1ccncc1CCc1c(Br)oc2cocc12>>Cc1c(c2ccncc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het5Het5.Boronic_Heteroaromatic
@@ -7460,12 +7460,12 @@ suzuki	7458	Cc1c(Br)oc2ccccc12.OB(O)c1ccncc1CCc1c(Br)oc2ccccc12>>Cc1c(c2ccncc2CC
 suzuki	7459	Cc1c(Br)oc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(Br)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccccc1CCc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.Boronate_Aromatic
 suzuki	7460	Cc1c(Br)oc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(Br)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccncc1CCc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.Boronate_Heteroaromatic
 suzuki	7461	Cc1c(Br)oc2ccccc12.F[B-](F)(F)c1ccccc1CCc1c(Br)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1CCc1c(Br)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Het5Phe.TrifluoroBoronateAromatic
-suzuki	7462	Cc1cnccc1Br.OB1CCCC(Cc2cnccc2Br)O1>>Cc1cnccc1CCCC(O)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.BoronicCyclic
-suzuki	7463	Cc1cnccc1Br.OB(O)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.Boronic_Aromatic
-suzuki	7464	Cc1cnccc1Br.OB(O)c1ccncc1CCc1cnccc1Br>>Cc1cnccc1c1ccncc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.Boronic_Heteroaromatic
-suzuki	7465	Cc1cnccc1Br.CC1(C)OB(c2ccccc2CCc2cnccc2Br)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.Boronate_Aromatic
-suzuki	7466	Cc1cnccc1Br.CC1(C)OB(c2ccncc2CCc2cnccc2Br)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.Boronate_Heteroaromatic
-suzuki	7467	Cc1cnccc1Br.F[B-](F)(F)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.TrifluoroBoronateAromatic
+suzuki	7462	Cc1cnccc1Br.OB1CCCC(Cc2cnccc2Br)O1>>Cc1cnccc1CCCC(O)Cc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.BoronicCyclic
+suzuki	7463	Cc1cnccc1Br.OB(O)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.Boronic_Aromatic
+suzuki	7464	Cc1cnccc1Br.OB(O)c1ccncc1CCc1cnccc1Br>>Cc1cnccc1c1ccncc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6.Boronic_Heteroaromatic
+suzuki	7465	Cc1cnccc1Br.CC1(C)OB(c2ccccc2CCc2cnccc2Br)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.Boronate_Aromatic
+suzuki	7466	Cc1cnccc1Br.CC1(C)OB(c2ccncc2CCc2cnccc2Br)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.Boronate_Heteroaromatic
+suzuki	7467	Cc1cnccc1Br.F[B-](F)(F)c1ccccc1CCc1cnccc1Br>>Cc1cnccc1c1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_Het6.TrifluoroBoronateAromatic
 suzuki	7468	Cc1nc2cocc2cc1Br.OB1CCCC(Cc2nc3cocc3cc2Br)O1>>Cc1nc2cocc2cc1CCCC(O)Cc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.BoronicCyclic
 suzuki	7469	Cc1nc2cocc2cc1Br.OB(O)c1ccccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.Boronic_Aromatic
 suzuki	7470	Cc1nc2cocc2cc1Br.OB(O)c1ccncc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1c1ccncc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Bromide_Het6Het5.Boronic_Heteroaromatic
@@ -7496,12 +7496,12 @@ suzuki	7494	CCc1c(Br)ccc2ccncc12.OB(O)c1ccncc1CCCc1c(Br)ccc2ccncc12>>CCc1c(c2ccn
 suzuki	7495	CCc1c(Br)ccc2ccncc12.CC1(C)OB(c2ccccc2CCCc2c(Br)ccc3ccncc23)OC1(C)C>>CCc1c2cnccc2ccc1c1ccccc1CCCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.Boronate_Aromatic
 suzuki	7496	CCc1c(Br)ccc2ccncc12.CC1(C)OB(c2ccncc2CCCc2c(Br)ccc3ccncc23)OC1(C)C>>CCc1c2cnccc2ccc1c1ccncc1CCCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.Boronate_Heteroaromatic
 suzuki	7497	CCc1c(Br)ccc2ccncc12.F[B-](F)(F)c1ccccc1CCCc1c(Br)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCCc1c(Br)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Bromide_PheHet6.TrifluoroBoronateAromatic
-suzuki	7498	Cc1cocc1Cl.OB1CCCC(Cc2cocc2Cl)O1>>Cc1cocc1CCCC(O)Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5.BoronicCyclic
-suzuki	7499	Cc1cocc1Cl.OB(O)c1ccccc1CCc1cocc1Cl>>Cc1cocc1c1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5.Boronic_Aromatic
-suzuki	7500	Cc1cocc1Cl.OB(O)c1ccncc1CCc1cocc1Cl>>Cc1cocc1c1ccncc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5.Boronic_Heteroaromatic
-suzuki	7501	Cc1cocc1Cl.CC1(C)OB(c2ccccc2CCc2cocc2Cl)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.Boronate_Aromatic
-suzuki	7502	Cc1cocc1Cl.CC1(C)OB(c2ccncc2CCc2cocc2Cl)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.Boronate_Heteroaromatic
-suzuki	7503	Cc1cocc1Cl.F[B-](F)(F)c1ccccc1CCc1cocc1Cl>>Cc1cocc1c1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.TrifluoroBoronateAromatic
+suzuki	7498	Cc1cocc1Cl.OB1CCCC(Cc2cocc2Cl)O1>>Cc1cocc1CCCC(O)Cc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5.BoronicCyclic
+suzuki	7499	Cc1cocc1Cl.OB(O)c1ccccc1CCc1cocc1Cl>>Cc1cocc1c1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5.Boronic_Aromatic
+suzuki	7500	Cc1cocc1Cl.OB(O)c1ccncc1CCc1cocc1Cl>>Cc1cocc1c1ccncc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5.Boronic_Heteroaromatic
+suzuki	7501	Cc1cocc1Cl.CC1(C)OB(c2ccccc2CCc2cocc2Cl)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.Boronate_Aromatic
+suzuki	7502	Cc1cocc1Cl.CC1(C)OB(c2ccncc2CCc2cocc2Cl)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.Boronate_Heteroaromatic
+suzuki	7503	Cc1cocc1Cl.F[B-](F)(F)c1ccccc1CCc1cocc1Cl>>Cc1cocc1c1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Chloride_Het5.TrifluoroBoronateAromatic
 suzuki	7504	Cc1c(Cl)oc2cocc12.OB1CCCC(Cc2c(Cl)oc3cocc23)O1>>Cc1c(CCCC(O)Cc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5Het5.BoronicCyclic
 suzuki	7505	Cc1c(Cl)oc2cocc12.OB(O)c1ccccc1CCc1c(Cl)oc2cocc12>>Cc1c(c2ccccc2CCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5Het5.Boronic_Aromatic
 suzuki	7506	Cc1c(Cl)oc2cocc12.OB(O)c1ccncc1CCc1c(Cl)oc2cocc12>>Cc1c(c2ccncc2CCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het5Het5.Boronic_Heteroaromatic
@@ -7520,12 +7520,12 @@ suzuki	7518	Cc1c(Cl)oc2ccccc12.OB(O)c1ccncc1CCc1c(Cl)oc2ccccc12>>Cc1c(c2ccncc2CC
 suzuki	7519	Cc1c(Cl)oc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(Cl)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccccc1CCc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.Boronate_Aromatic
 suzuki	7520	Cc1c(Cl)oc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(Cl)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccncc1CCc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.Boronate_Heteroaromatic
 suzuki	7521	Cc1c(Cl)oc2ccccc12.F[B-](F)(F)c1ccccc1CCc1c(Cl)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1CCc1c(Cl)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Chloride_Het5Phe.TrifluoroBoronateAromatic
-suzuki	7522	Cc1cnccc1Cl.OB1CCCC(Cc2cnccc2Cl)O1>>Cc1cnccc1CCCC(O)Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6.BoronicCyclic
-suzuki	7523	Cc1cnccc1Cl.OB(O)c1ccccc1CCc1cnccc1Cl>>Cc1cnccc1c1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6.Boronic_Aromatic
-suzuki	7524	Cc1cnccc1Cl.OB(O)c1ccncc1CCc1cnccc1Cl>>Cc1cnccc1c1ccncc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6.Boronic_Heteroaromatic
-suzuki	7525	Cc1cnccc1Cl.CC1(C)OB(c2ccccc2CCc2cnccc2Cl)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.Boronate_Aromatic
-suzuki	7526	Cc1cnccc1Cl.CC1(C)OB(c2ccncc2CCc2cnccc2Cl)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.Boronate_Heteroaromatic
-suzuki	7527	Cc1cnccc1Cl.F[B-](F)(F)c1ccccc1CCc1cnccc1Cl>>Cc1cnccc1c1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.TrifluoroBoronateAromatic
+suzuki	7522	Cc1cnccc1Cl.OB1CCCC(Cc2cnccc2Cl)O1>>Cc1cnccc1CCCC(O)Cc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6.BoronicCyclic
+suzuki	7523	Cc1cnccc1Cl.OB(O)c1ccccc1CCc1cnccc1Cl>>Cc1cnccc1c1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6.Boronic_Aromatic
+suzuki	7524	Cc1cnccc1Cl.OB(O)c1ccncc1CCc1cnccc1Cl>>Cc1cnccc1c1ccncc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6.Boronic_Heteroaromatic
+suzuki	7525	Cc1cnccc1Cl.CC1(C)OB(c2ccccc2CCc2cnccc2Cl)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.Boronate_Aromatic
+suzuki	7526	Cc1cnccc1Cl.CC1(C)OB(c2ccncc2CCc2cnccc2Cl)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.Boronate_Heteroaromatic
+suzuki	7527	Cc1cnccc1Cl.F[B-](F)(F)c1ccccc1CCc1cnccc1Cl>>Cc1cnccc1c1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Chloride_Het6.TrifluoroBoronateAromatic
 suzuki	7528	Cc1nc2cocc2cc1Cl.OB1CCCC(Cc2nc3cocc3cc2Cl)O1>>Cc1nc2cocc2cc1CCCC(O)Cc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6Het5.BoronicCyclic
 suzuki	7529	Cc1nc2cocc2cc1Cl.OB(O)c1ccccc1CCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1ccccc1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6Het5.Boronic_Aromatic
 suzuki	7530	Cc1nc2cocc2cc1Cl.OB(O)c1ccncc1CCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1c1ccncc1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Chloride_Het6Het5.Boronic_Heteroaromatic
@@ -7544,12 +7544,12 @@ suzuki	7542	Cc1c(Cl)ncc2ccccc12.OB(O)c1ccncc1CCc1c(Cl)ncc2ccccc12>>Cc1c(c2ccncc2
 suzuki	7543	Cc1c(Cl)ncc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(Cl)ncc3ccccc23)OC1(C)C>>Cc1c2ccccc2cnc1c1ccccc1CCc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.Boronate_Aromatic
 suzuki	7544	Cc1c(Cl)ncc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(Cl)ncc3ccccc23)OC1(C)C>>Cc1c2ccccc2cnc1c1ccncc1CCc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.Boronate_Heteroaromatic
 suzuki	7545	Cc1c(Cl)ncc2ccccc12.F[B-](F)(F)c1ccccc1CCc1c(Cl)ncc2ccccc12>>Cc1c2ccccc2cnc1c1ccccc1CCc1c(Cl)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Chloride_Het6Phe.TrifluoroBoronateAromatic
-suzuki	7546	Cc1cocc1I.OB1CCCC(Cc2cocc2I)O1>>Cc1cocc1CCCC(O)Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5.BoronicCyclic
-suzuki	7547	Cc1cocc1I.OB(O)c1ccccc1CCc1cocc1I>>Cc1cocc1c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5.Boronic_Aromatic
-suzuki	7548	Cc1cocc1I.OB(O)c1ccncc1CCc1cocc1I>>Cc1cocc1c1ccncc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5.Boronic_Heteroaromatic
-suzuki	7549	Cc1cocc1I.CC1(C)OB(c2ccccc2CCc2cocc2I)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.Boronate_Aromatic
-suzuki	7550	Cc1cocc1I.CC1(C)OB(c2ccncc2CCc2cocc2I)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.Boronate_Heteroaromatic
-suzuki	7551	Cc1cocc1I.F[B-](F)(F)c1ccccc1CCc1cocc1I>>Cc1cocc1c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.TrifluoroBoronateAromatic
+suzuki	7546	Cc1cocc1I.OB1CCCC(Cc2cocc2I)O1>>Cc1cocc1CCCC(O)Cc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5.BoronicCyclic
+suzuki	7547	Cc1cocc1I.OB(O)c1ccccc1CCc1cocc1I>>Cc1cocc1c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5.Boronic_Aromatic
+suzuki	7548	Cc1cocc1I.OB(O)c1ccncc1CCc1cocc1I>>Cc1cocc1c1ccncc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5.Boronic_Heteroaromatic
+suzuki	7549	Cc1cocc1I.CC1(C)OB(c2ccccc2CCc2cocc2I)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.Boronate_Aromatic
+suzuki	7550	Cc1cocc1I.CC1(C)OB(c2ccncc2CCc2cocc2I)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.Boronate_Heteroaromatic
+suzuki	7551	Cc1cocc1I.F[B-](F)(F)c1ccccc1CCc1cocc1I>>Cc1cocc1c1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Het5.TrifluoroBoronateAromatic
 suzuki	7552	Cc1c(I)oc2cocc12.OB1CCCC(Cc2c(I)oc3cocc23)O1>>Cc1c(CCCC(O)Cc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5Het5.BoronicCyclic
 suzuki	7553	Cc1c(I)oc2cocc12.OB(O)c1ccccc1CCc1c(I)oc2cocc12>>Cc1c(c2ccccc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5Het5.Boronic_Aromatic
 suzuki	7554	Cc1c(I)oc2cocc12.OB(O)c1ccncc1CCc1c(I)oc2cocc12>>Cc1c(c2ccncc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het5Het5.Boronic_Heteroaromatic
@@ -7568,12 +7568,12 @@ suzuki	7566	Cc1c(I)oc2ccccc12.OB(O)c1ccncc1CCc1c(I)oc2ccccc12>>Cc1c(c2ccncc2CCc2
 suzuki	7567	Cc1c(I)oc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(I)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccccc1CCc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.Boronate_Aromatic
 suzuki	7568	Cc1c(I)oc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(I)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccncc1CCc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.Boronate_Heteroaromatic
 suzuki	7569	Cc1c(I)oc2ccccc12.F[B-](F)(F)c1ccccc1CCc1c(I)oc2ccccc12>>Cc1c2ccccc2oc1c1ccccc1CCc1c(I)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Het5Phe.TrifluoroBoronateAromatic
-suzuki	7570	Cc1cnccc1I.OB1CCCC(Cc2cnccc2I)O1>>Cc1cnccc1CCCC(O)Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6.BoronicCyclic
-suzuki	7571	Cc1cnccc1I.OB(O)c1ccccc1CCc1cnccc1I>>Cc1cnccc1c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6.Boronic_Aromatic
-suzuki	7572	Cc1cnccc1I.OB(O)c1ccncc1CCc1cnccc1I>>Cc1cnccc1c1ccncc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6.Boronic_Heteroaromatic
-suzuki	7573	Cc1cnccc1I.CC1(C)OB(c2ccccc2CCc2cnccc2I)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.Boronate_Aromatic
-suzuki	7574	Cc1cnccc1I.CC1(C)OB(c2ccncc2CCc2cnccc2I)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.Boronate_Heteroaromatic
-suzuki	7575	Cc1cnccc1I.F[B-](F)(F)c1ccccc1CCc1cnccc1I>>Cc1cnccc1c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.TrifluoroBoronateAromatic
+suzuki	7570	Cc1cnccc1I.OB1CCCC(Cc2cnccc2I)O1>>Cc1cnccc1CCCC(O)Cc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6.BoronicCyclic
+suzuki	7571	Cc1cnccc1I.OB(O)c1ccccc1CCc1cnccc1I>>Cc1cnccc1c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6.Boronic_Aromatic
+suzuki	7572	Cc1cnccc1I.OB(O)c1ccncc1CCc1cnccc1I>>Cc1cnccc1c1ccncc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6.Boronic_Heteroaromatic
+suzuki	7573	Cc1cnccc1I.CC1(C)OB(c2ccccc2CCc2cnccc2I)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.Boronate_Aromatic
+suzuki	7574	Cc1cnccc1I.CC1(C)OB(c2ccncc2CCc2cnccc2I)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.Boronate_Heteroaromatic
+suzuki	7575	Cc1cnccc1I.F[B-](F)(F)c1ccccc1CCc1cnccc1I>>Cc1cnccc1c1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_Het6.TrifluoroBoronateAromatic
 suzuki	7576	Cc1nc2cocc2cc1I.OB1CCCC(Cc2nc3cocc3cc2I)O1>>Cc1nc2cocc2cc1CCCC(O)Cc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6Het5.BoronicCyclic
 suzuki	7577	Cc1nc2cocc2cc1I.OB(O)c1ccccc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccccc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6Het5.Boronic_Aromatic
 suzuki	7578	Cc1nc2cocc2cc1I.OB(O)c1ccncc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1c1ccncc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Iodide_Het6Het5.Boronic_Heteroaromatic
@@ -7604,12 +7604,12 @@ suzuki	7602	CCc1c(I)ccc2ccncc12.OB(O)c1ccncc1CCCc1c(I)ccc2ccncc12>>CCc1c(c2ccncc
 suzuki	7603	CCc1c(I)ccc2ccncc12.CC1(C)OB(c2ccccc2CCCc2c(I)ccc3ccncc23)OC1(C)C>>CCc1c2cnccc2ccc1c1ccccc1CCCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.Boronate_Aromatic
 suzuki	7604	CCc1c(I)ccc2ccncc12.CC1(C)OB(c2ccncc2CCCc2c(I)ccc3ccncc23)OC1(C)C>>CCc1c2cnccc2ccc1c1ccncc1CCCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.Boronate_Heteroaromatic
 suzuki	7605	CCc1c(I)ccc2ccncc12.F[B-](F)(F)c1ccccc1CCCc1c(I)ccc2ccncc12>>CCc1c2cnccc2ccc1c1ccccc1CCCc1c(I)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Iodide_PheHet6.TrifluoroBoronateAromatic
-suzuki	7606	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCCB(O)O1)C(F)(F)F>>Cc1cocc1CCCC(O)Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5.BoronicCyclic
-suzuki	7607	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1cocc1c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5.Boronic_Aromatic
-suzuki	7608	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1cocc1c1ccncc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5.Boronic_Heteroaromatic
-suzuki	7609	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccccc2CCc2cocc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.Boronate_Aromatic
-suzuki	7610	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccncc2CCc2cocc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.Boronate_Heteroaromatic
-suzuki	7611	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1[B-](F)(F)F)C(F)(F)F>>Cc1cocc1c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.TrifluoroBoronateAromatic
+suzuki	7606	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CC1CCCB(O)O1)C(F)(F)F>>Cc1cocc1CCCC(O)Cc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5.BoronicCyclic
+suzuki	7607	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1cocc1c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5.Boronic_Aromatic
+suzuki	7608	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1cocc1c1ccncc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5.Boronic_Heteroaromatic
+suzuki	7609	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccccc2CCc2cocc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cocc1c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.Boronate_Aromatic
+suzuki	7610	Cc1cocc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccncc2CCc2cocc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cocc1c1ccncc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.Boronate_Heteroaromatic
+suzuki	7611	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1[B-](F)(F)F)C(F)(F)F>>Cc1cocc1c1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Het5.TrifluoroBoronateAromatic
 suzuki	7612	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CC1CCCB(O)O1)C(F)(F)F>>Cc1c(CCCC(O)Cc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5Het5.BoronicCyclic
 suzuki	7613	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1c(c2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5Het5.Boronic_Aromatic
 suzuki	7614	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1c(c2ccncc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het5Het5.Boronic_Heteroaromatic
@@ -7628,12 +7628,12 @@ suzuki	7626	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1cnccc1B
 suzuki	7627	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.CC1(C)OB(c2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.Boronate_Aromatic
 suzuki	7628	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.CC1(C)OB(c2ccncc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)OC1(C)C>>Cc1c2ccccc2oc1c1ccncc1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.Boronate_Heteroaromatic
 suzuki	7629	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccccc1[B-](F)(F)F)C(F)(F)F>>Cc1c2ccccc2oc1c1ccccc1CCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Het5Phe.TrifluoroBoronateAromatic
-suzuki	7630	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCCB(O)O1)C(F)(F)F>>Cc1cnccc1CCCC(O)Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6.BoronicCyclic
-suzuki	7631	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1cnccc1c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6.Boronic_Aromatic
-suzuki	7632	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1cnccc1c1ccncc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6.Boronic_Heteroaromatic
-suzuki	7633	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccccc2CCc2cnccc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.Boronate_Aromatic
-suzuki	7634	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccncc2CCc2cnccc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.Boronate_Heteroaromatic
-suzuki	7635	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1[B-](F)(F)F)C(F)(F)F>>Cc1cnccc1c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.TrifluoroBoronateAromatic
+suzuki	7630	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CC1CCCB(O)O1)C(F)(F)F>>Cc1cnccc1CCCC(O)Cc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6.BoronicCyclic
+suzuki	7631	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1cnccc1c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6.Boronic_Aromatic
+suzuki	7632	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1cnccc1c1ccncc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6.Boronic_Heteroaromatic
+suzuki	7633	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccccc2CCc2cnccc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cnccc1c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[c;$(c1ccccc1)])]);!$(B1OBOBO1):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.Boronate_Aromatic
+suzuki	7634	Cc1cnccc1OS(=O)(=O)C(F)(F)F.CC1(C)OB(c2ccncc2CCc2cnccc2OS(=O)(=O)C(F)(F)F)OC1(C)C>>Cc1cnccc1c1ccncc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([O;!D1])[O;!D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.Boronate_Heteroaromatic
+suzuki	7635	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1[B-](F)(F)F)C(F)(F)F>>Cc1cnccc1c1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[B;$(B([a])(F)(F)F):3][a:4]>>[a:2][a:4]	X-Triflate_Het6.TrifluoroBoronateAromatic
 suzuki	7636	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CC1CCCB(O)O1)C(F)(F)F>>Cc1nc2cocc2cc1CCCC(O)Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;R;$(B([O;D1])[O;D2]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6Het5.BoronicCyclic
 suzuki	7637	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1ccccc1B(O)O)C(F)(F)F>>Cc1nc2cocc2cc1c1ccccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6Het5.Boronic_Aromatic
 suzuki	7638	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1cnccc1B(O)O)C(F)(F)F>>Cc1nc2cocc2cc1c1ccncc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[B;$([B;!R]([O;D1])[O;D1]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):3][#6:4]>>[a:2][#6:4]	X-Triflate_Het6Het5.Boronic_Heteroaromatic
@@ -7678,7 +7678,7 @@ amide_coupling	7676	CCCCC(=O)O.O=C(O)CCCCCNC=CNc1ccccc1>>CCCCC(=O)N(C=CNCCCCCC(=
 amide_coupling	7677	CCCCC(=O)O.O=C(O)CCCCC1CCc2ccccc2Nc2ccccc2C1>>CCCCC(=O)N1c2ccccc2CCC(CCCCC(=O)O)Cc2ccccc21	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7678	CCCCC(=O)O.O=C(O)CCCCc1ccc2c(c1)NCCC2>>CCCCC(=O)N1CCCc2ccc(CCCCC(=O)O)cc21	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7679	CCCCC(=O)O.O=C(O)CCCCc1ccc2c(c1)NC=CC2>>CCCCC(=O)N1C=CCc2ccc(CCCCC(=O)O)cc21	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7680	CCCCC(=O)O.Nc1cccc(CCCCCC(=O)O)c1N>>CCCCC(=O)Nc1cccc(CCCCCC(=O)O)c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Phe
+amide_coupling	7680	CCCCC(=O)O.Nc1cccc(CCCCCC(=O)O)c1N>>CCCCC(=O)Nc1cccc(CCCCCC(=O)O)c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Phe
 amide_coupling	7681	CCCCC(=O)O.Nc1cc2ccc(CCCCCC(=O)O)cc2cc1N>>CCCCC(=O)Nc1cc2ccc(CCCCCC(=O)O)cc2cc1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_PhePhe
 amide_coupling	7682	CCCCC(=O)O.CC(CCCCC(=O)O)c1ccc(Nc2ccncc2N)cc1>>CCCCC(=O)N(c1ccc(C(C)CCCCC(=O)O)cc1)c1ccncc1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7683	CCCCC(=O)O.Nc1cnccc1Nc1cncc(CCCCCC(=O)O)c1>>CCCCC(=O)N(c1cncc(CCCCCC(=O)O)c1)c1ccncc1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7688,11 +7688,11 @@ amide_coupling	7686	CCCCC(=O)O.O=C(O)CCCCC1CCc2ccncc2Nc2ccccc2C1>>CCCCC(=O)N1c2c
 amide_coupling	7687	CCCCC(=O)O.O=C(O)CCCCC1CCc2cnccc2Nc2cnccc2C1>>CCCCC(=O)N1c2ccncc2CCC(CCCCC(=O)O)Cc2ccncc21	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7688	CCCCC(=O)O.O=C(O)CCCCc1cnc2c(c1)NCCC2>>CCCCC(=O)N1CCCc2ncc(CCCCC(=O)O)cc21	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7689	CCCCC(=O)O.O=C(O)CCCCc1cnc2c(c1)NC=CC2>>CCCCC(=O)N1C=CCc2ncc(CCCCC(=O)O)cc21	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7690	CCCCC(=O)O.Nc1occ(CCCCCC(=O)O)c1N>>CCCCC(=O)Nc1occ(CCCCCC(=O)O)c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het5
+amide_coupling	7690	CCCCC(=O)O.Nc1occ(CCCCCC(=O)O)c1N>>CCCCC(=O)Nc1occ(CCCCCC(=O)O)c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het5
 amide_coupling	7691	CCCCC(=O)O.Nc1oc2c(CCCCCC(=O)O)occ2c1N>>CCCCC(=O)Nc1oc2c(CCCCCC(=O)O)occ2c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het5Het5
 amide_coupling	7692	CCCCC(=O)O.Nc1oc2cc(CCCCCC(=O)O)ncc2c1N>>CCCCC(=O)Nc1oc2cc(CCCCCC(=O)O)ncc2c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het5Het6
 amide_coupling	7693	CCCCC(=O)O.Nc1oc2ccc(CCCCCC(=O)O)cc2c1N>>CCCCC(=O)Nc1oc2ccc(CCCCCC(=O)O)cc2c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het5Phe
-amide_coupling	7694	CCCCC(=O)O.Nc1nccc(CCCCCC(=O)O)c1N>>CCCCC(=O)Nc1nccc(CCCCCC(=O)O)c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het6
+amide_coupling	7694	CCCCC(=O)O.Nc1nccc(CCCCCC(=O)O)c1N>>CCCCC(=O)Nc1nccc(CCCCCC(=O)O)c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het6
 amide_coupling	7695	CCCCC(=O)O.Nc1c(CCCCC(=O)O)nc2cocc2c1N>>CCCCC(=O)Nc1c(CCCCC(=O)O)nc2cocc2c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het6Het5
 amide_coupling	7696	CCCCC(=O)O.Nc1ncc2cc(CCCCCC(=O)O)ncc2c1N>>CCCCC(=O)Nc1ncc2cc(CCCCCC(=O)O)ncc2c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het6Het6
 amide_coupling	7697	CCCCC(=O)O.Nc1ncc2ccc(CCCCCC(=O)O)cc2c1N>>CCCCC(=O)Nc1ncc2ccc(CCCCCC(=O)O)cc2c1N	[O;D1;!$(OC(=O)[N,O,S]);$(O[C;D2,D3;$(C(=O));!$(CC=,#C);!$(CC#N);!$(Ca)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -7714,7 +7714,7 @@ amide_coupling	7712	CCC=CC(=O)O.O=C(O)C=CCCCNC=CNc1ccccc1>>CCC=CC(=O)N(C=CNCCCC=
 amide_coupling	7713	CCC=CC(=O)O.O=C(O)C=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)O)Cc2ccccc21	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7714	CCC=CC(=O)O.O=C(O)C=CCCc1ccc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)O)cc21	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7715	CCC=CC(=O)O.O=C(O)C=CCCc1ccc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)O)cc21	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7716	CCC=CC(=O)O.Nc1cccc(CCCC=CC(=O)O)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)O)c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Phe
+amide_coupling	7716	CCC=CC(=O)O.Nc1cccc(CCCC=CC(=O)O)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)O)c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Phe
 amide_coupling	7717	CCC=CC(=O)O.Nc1cc2ccc(CCCC=CC(=O)O)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)O)cc2cc1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amide_coupling	7718	CCC=CC(=O)O.CC(CCC=CC(=O)O)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)O)cc1)c1ccncc1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7719	CCC=CC(=O)O.Nc1cnccc1Nc1cncc(CCCC=CC(=O)O)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)O)c1)c1ccncc1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7724,11 +7724,11 @@ amide_coupling	7722	CCC=CC(=O)O.O=C(O)C=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CC(=O)N1
 amide_coupling	7723	CCC=CC(=O)O.O=C(O)C=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)O)Cc2ccncc21	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7724	CCC=CC(=O)O.O=C(O)C=CCCc1cnc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)O)cc21	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7725	CCC=CC(=O)O.O=C(O)C=CCCc1cnc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)O)cc21	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7726	CCC=CC(=O)O.Nc1occ(CCCC=CC(=O)O)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)O)c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het5
+amide_coupling	7726	CCC=CC(=O)O.Nc1occ(CCCC=CC(=O)O)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)O)c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het5
 amide_coupling	7727	CCC=CC(=O)O.Nc1oc2c(CCCC=CC(=O)O)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)O)occ2c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amide_coupling	7728	CCC=CC(=O)O.Nc1oc2cc(CCCC=CC(=O)O)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)O)ncc2c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amide_coupling	7729	CCC=CC(=O)O.Nc1oc2ccc(CCCC=CC(=O)O)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)O)cc2c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amide_coupling	7730	CCC=CC(=O)O.Nc1nccc(CCCC=CC(=O)O)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)O)c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het6
+amide_coupling	7730	CCC=CC(=O)O.Nc1nccc(CCCC=CC(=O)O)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)O)c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het6
 amide_coupling	7731	CCC=CC(=O)O.Nc1c(CCC=CC(=O)O)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)O)nc2cocc2c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amide_coupling	7732	CCC=CC(=O)O.Nc1ncc2cc(CCCC=CC(=O)O)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)O)ncc2c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amide_coupling	7733	CCC=CC(=O)O.Nc1ncc2ccc(CCCC=CC(=O)O)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)O)cc2c1N	[O;D1;$([$(OC(=O)C=C),$(OC(=O)C#C),$(OC(=O)C#N)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -7750,7 +7750,7 @@ amide_coupling	7748	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1C(=O
 amide_coupling	7749	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)O)Cc2ccccc21	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7750	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7751	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7752	Cc1ccccc1C(=O)O.Nc1cccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Phe
+amide_coupling	7752	Cc1ccccc1C(=O)O.Nc1cccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Phe
 amide_coupling	7753	Cc1ccccc1C(=O)O.Nc1cc2ccc(CCc3ccccc3C(=O)O)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)O)cc2cc1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_PhePhe
 amide_coupling	7754	Cc1ccccc1C(=O)O.CC(Cc1ccccc1C(=O)O)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)O)cc1)c1ccncc1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7755	Cc1ccccc1C(=O)O.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)O)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)O)c1)c1ccncc1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7760,11 +7760,11 @@ amide_coupling	7758	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 amide_coupling	7759	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)O)Cc2ccncc21	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7760	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7761	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7762	Cc1ccccc1C(=O)O.Nc1occ(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het5
+amide_coupling	7762	Cc1ccccc1C(=O)O.Nc1occ(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het5
 amide_coupling	7763	Cc1ccccc1C(=O)O.Nc1oc2c(CCc3ccccc3C(=O)O)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)O)occ2c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het5Het5
 amide_coupling	7764	Cc1ccccc1C(=O)O.Nc1oc2cc(CCc3ccccc3C(=O)O)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)O)ncc2c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het5Het6
 amide_coupling	7765	Cc1ccccc1C(=O)O.Nc1oc2ccc(CCc3ccccc3C(=O)O)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)O)cc2c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het5Phe
-amide_coupling	7766	Cc1ccccc1C(=O)O.Nc1nccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het6
+amide_coupling	7766	Cc1ccccc1C(=O)O.Nc1nccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het6
 amide_coupling	7767	Cc1ccccc1C(=O)O.Nc1c(Cc2ccccc2C(=O)O)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)O)nc2cocc2c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het6Het5
 amide_coupling	7768	Cc1ccccc1C(=O)O.Nc1ncc2cc(CCc3ccccc3C(=O)O)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)O)ncc2c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het6Het6
 amide_coupling	7769	Cc1ccccc1C(=O)O.Nc1ncc2ccc(CCc3ccccc3C(=O)O)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)O)cc2c1N	[O;D1;$(OC(=O)[c;$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Aromatic.Amine_Primary_Het6Phe
@@ -7786,7 +7786,7 @@ amide_coupling	7784	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1C(=O
 amide_coupling	7785	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)O)Cc2ccccc21	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7786	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7787	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7788	Cc1cnccc1C(=O)O.Nc1cccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Phe
+amide_coupling	7788	Cc1cnccc1C(=O)O.Nc1cccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Phe
 amide_coupling	7789	Cc1cnccc1C(=O)O.Nc1cc2ccc(CCc3cnccc3C(=O)O)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)O)cc2cc1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_PhePhe
 amide_coupling	7790	Cc1cnccc1C(=O)O.CC(Cc1cnccc1C(=O)O)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)O)cc1)c1ccncc1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7791	Cc1cnccc1C(=O)O.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)O)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)O)c1)c1ccncc1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7796,11 +7796,11 @@ amide_coupling	7794	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 amide_coupling	7795	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)O)Cc2ccncc21	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7796	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7797	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)O)cc21	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Acid_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7798	Cc1cnccc1C(=O)O.Nc1occ(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het5
+amide_coupling	7798	Cc1cnccc1C(=O)O.Nc1occ(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het5
 amide_coupling	7799	Cc1cnccc1C(=O)O.Nc1oc2c(CCc3cnccc3C(=O)O)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)O)occ2c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het5Het5
 amide_coupling	7800	Cc1cnccc1C(=O)O.Nc1oc2cc(CCc3cnccc3C(=O)O)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)O)ncc2c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het5Het6
 amide_coupling	7801	Cc1cnccc1C(=O)O.Nc1oc2ccc(CCc3cnccc3C(=O)O)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)O)cc2c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het5Phe
-amide_coupling	7802	Cc1cnccc1C(=O)O.Nc1nccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het6
+amide_coupling	7802	Cc1cnccc1C(=O)O.Nc1nccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)O)c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het6
 amide_coupling	7803	Cc1cnccc1C(=O)O.Nc1c(Cc2cnccc2C(=O)O)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)O)nc2cocc2c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het6Het5
 amide_coupling	7804	Cc1cnccc1C(=O)O.Nc1ncc2cc(CCc3cnccc3C(=O)O)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)O)ncc2c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het6Het6
 amide_coupling	7805	Cc1cnccc1C(=O)O.Nc1ncc2ccc(CCc3cnccc3C(=O)O)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)O)cc2c1N	[O;D1;$(OC(=O)[c;$(a1aaaaa1),$(a1aaaa1);!$(c1ccccc1)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Acid_Heteroaromatic.Amine_Primary_Het6Phe
@@ -7822,7 +7822,7 @@ amide_coupling	7820	CCCC(=O)S.O=C(S)CCCCNC=CNc1ccccc1>>CCCC(=O)N(C=CNCCCCC(=O)S)
 amide_coupling	7821	CCCC(=O)S.O=C(S)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCC(=O)N1c2ccccc2CCC(CCCC(=O)S)Cc2ccccc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7822	CCCC(=O)S.O=C(S)CCCc1ccc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ccc(CCCC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7823	CCCC(=O)S.O=C(S)CCCc1ccc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ccc(CCCC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7824	CCCC(=O)S.Nc1cccc(CCCCC(=O)S)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Phe
+amide_coupling	7824	CCCC(=O)S.Nc1cccc(CCCCC(=O)S)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Phe
 amide_coupling	7825	CCCC(=O)S.Nc1cc2ccc(CCCCC(=O)S)cc2cc1N>>CCCC(=O)Nc1cc2ccc(CCCCC(=O)S)cc2cc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_PhePhe
 amide_coupling	7826	CCCC(=O)S.CC(CCCC(=O)S)c1ccc(Nc2ccncc2N)cc1>>CCCC(=O)N(c1ccc(C(C)CCCC(=O)S)cc1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7827	CCCC(=O)S.Nc1cnccc1Nc1cncc(CCCCC(=O)S)c1>>CCCC(=O)N(c1cncc(CCCCC(=O)S)c1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7832,11 +7832,11 @@ amide_coupling	7830	CCCC(=O)S.O=C(S)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCC(=O)N1c2cncc
 amide_coupling	7831	CCCC(=O)S.O=C(S)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCC(=O)N1c2ccncc2CCC(CCCC(=O)S)Cc2ccncc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7832	CCCC(=O)S.O=C(S)CCCc1cnc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ncc(CCCC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7833	CCCC(=O)S.O=C(S)CCCc1cnc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ncc(CCCC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7834	CCCC(=O)S.Nc1occ(CCCCC(=O)S)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het5
+amide_coupling	7834	CCCC(=O)S.Nc1occ(CCCCC(=O)S)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het5
 amide_coupling	7835	CCCC(=O)S.Nc1oc2c(CCCCC(=O)S)occ2c1N>>CCCC(=O)Nc1oc2c(CCCCC(=O)S)occ2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het5Het5
 amide_coupling	7836	CCCC(=O)S.Nc1oc2cc(CCCCC(=O)S)ncc2c1N>>CCCC(=O)Nc1oc2cc(CCCCC(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het5Het6
 amide_coupling	7837	CCCC(=O)S.Nc1oc2ccc(CCCCC(=O)S)cc2c1N>>CCCC(=O)Nc1oc2ccc(CCCCC(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het5Phe
-amide_coupling	7838	CCCC(=O)S.Nc1nccc(CCCCC(=O)S)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het6
+amide_coupling	7838	CCCC(=O)S.Nc1nccc(CCCCC(=O)S)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het6
 amide_coupling	7839	CCCC(=O)S.Nc1c(CCCC(=O)S)nc2cocc2c1N>>CCCC(=O)Nc1c(CCCC(=O)S)nc2cocc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het6Het5
 amide_coupling	7840	CCCC(=O)S.Nc1ncc2cc(CCCCC(=O)S)ncc2c1N>>CCCC(=O)Nc1ncc2cc(CCCCC(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het6Het6
 amide_coupling	7841	CCCC(=O)S.Nc1ncc2ccc(CCCCC(=O)S)cc2c1N>>CCCC(=O)Nc1ncc2ccc(CCCCC(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -7858,7 +7858,7 @@ amide_coupling	7856	CCC=CC(=O)S.O=C(S)C=CCCCNC=CNc1ccccc1>>CCC=CC(=O)N(C=CNCCCC=
 amide_coupling	7857	CCC=CC(=O)S.O=C(S)C=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)S)Cc2ccccc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7858	CCC=CC(=O)S.O=C(S)C=CCCc1ccc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7859	CCC=CC(=O)S.O=C(S)C=CCCc1ccc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7860	CCC=CC(=O)S.Nc1cccc(CCCC=CC(=O)S)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Phe
+amide_coupling	7860	CCC=CC(=O)S.Nc1cccc(CCCC=CC(=O)S)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Phe
 amide_coupling	7861	CCC=CC(=O)S.Nc1cc2ccc(CCCC=CC(=O)S)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)S)cc2cc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amide_coupling	7862	CCC=CC(=O)S.CC(CCC=CC(=O)S)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)S)cc1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7863	CCC=CC(=O)S.Nc1cnccc1Nc1cncc(CCCC=CC(=O)S)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)S)c1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7868,11 +7868,11 @@ amide_coupling	7866	CCC=CC(=O)S.O=C(S)C=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CC(=O)N1
 amide_coupling	7867	CCC=CC(=O)S.O=C(S)C=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)S)Cc2ccncc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7868	CCC=CC(=O)S.O=C(S)C=CCCc1cnc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7869	CCC=CC(=O)S.O=C(S)C=CCCc1cnc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7870	CCC=CC(=O)S.Nc1occ(CCCC=CC(=O)S)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het5
+amide_coupling	7870	CCC=CC(=O)S.Nc1occ(CCCC=CC(=O)S)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het5
 amide_coupling	7871	CCC=CC(=O)S.Nc1oc2c(CCCC=CC(=O)S)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)S)occ2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amide_coupling	7872	CCC=CC(=O)S.Nc1oc2cc(CCCC=CC(=O)S)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amide_coupling	7873	CCC=CC(=O)S.Nc1oc2ccc(CCCC=CC(=O)S)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amide_coupling	7874	CCC=CC(=O)S.Nc1nccc(CCCC=CC(=O)S)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het6
+amide_coupling	7874	CCC=CC(=O)S.Nc1nccc(CCCC=CC(=O)S)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het6
 amide_coupling	7875	CCC=CC(=O)S.Nc1c(CCC=CC(=O)S)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)S)nc2cocc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amide_coupling	7876	CCC=CC(=O)S.Nc1ncc2cc(CCCC=CC(=O)S)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amide_coupling	7877	CCC=CC(=O)S.Nc1ncc2ccc(CCCC=CC(=O)S)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -7894,7 +7894,7 @@ amide_coupling	7892	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1C(=O
 amide_coupling	7893	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)S)Cc2ccccc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7894	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7895	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7896	Cc1ccccc1C(=O)S.Nc1cccc(CCc2ccccc2C(=O)S)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Phe
+amide_coupling	7896	Cc1ccccc1C(=O)S.Nc1cccc(CCc2ccccc2C(=O)S)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Phe
 amide_coupling	7897	Cc1ccccc1C(=O)S.Nc1cc2ccc(CCc3ccccc3C(=O)S)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)S)cc2cc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_PhePhe
 amide_coupling	7898	Cc1ccccc1C(=O)S.CC(Cc1ccccc1C(=O)S)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)S)cc1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7899	Cc1ccccc1C(=O)S.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)S)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)S)c1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7904,11 +7904,11 @@ amide_coupling	7902	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 amide_coupling	7903	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)S)Cc2ccncc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7904	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7905	Cc1ccccc1C(=O)S.O=C(S)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7906	Cc1ccccc1C(=O)S.Nc1occ(CCc2ccccc2C(=O)S)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het5
+amide_coupling	7906	Cc1ccccc1C(=O)S.Nc1occ(CCc2ccccc2C(=O)S)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het5
 amide_coupling	7907	Cc1ccccc1C(=O)S.Nc1oc2c(CCc3ccccc3C(=O)S)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)S)occ2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het5Het5
 amide_coupling	7908	Cc1ccccc1C(=O)S.Nc1oc2cc(CCc3ccccc3C(=O)S)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het5Het6
 amide_coupling	7909	Cc1ccccc1C(=O)S.Nc1oc2ccc(CCc3ccccc3C(=O)S)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het5Phe
-amide_coupling	7910	Cc1ccccc1C(=O)S.Nc1nccc(CCc2ccccc2C(=O)S)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het6
+amide_coupling	7910	Cc1ccccc1C(=O)S.Nc1nccc(CCc2ccccc2C(=O)S)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het6
 amide_coupling	7911	Cc1ccccc1C(=O)S.Nc1c(Cc2ccccc2C(=O)S)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)S)nc2cocc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het6Het5
 amide_coupling	7912	Cc1ccccc1C(=O)S.Nc1ncc2cc(CCc3ccccc3C(=O)S)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het6Het6
 amide_coupling	7913	Cc1ccccc1C(=O)S.Nc1ncc2ccc(CCc3ccccc3C(=O)S)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Aromatic.Amine_Primary_Het6Phe
@@ -7930,7 +7930,7 @@ amide_coupling	7928	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1C(=O
 amide_coupling	7929	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)S)Cc2ccccc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amide_coupling	7930	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amide_coupling	7931	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amide_coupling	7932	Cc1cnccc1C(=O)S.Nc1cccc(CCc2cnccc2C(=O)S)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Phe
+amide_coupling	7932	Cc1cnccc1C(=O)S.Nc1cccc(CCc2cnccc2C(=O)S)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Phe
 amide_coupling	7933	Cc1cnccc1C(=O)S.Nc1cc2ccc(CCc3cnccc3C(=O)S)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)S)cc2cc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_PhePhe
 amide_coupling	7934	Cc1cnccc1C(=O)S.CC(Cc1cnccc1C(=O)S)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)S)cc1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amide_coupling	7935	Cc1cnccc1C(=O)S.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)S)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)S)c1)c1ccncc1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7940,11 +7940,11 @@ amide_coupling	7938	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>Cc1c
 amide_coupling	7939	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)S)Cc2ccncc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amide_coupling	7940	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amide_coupling	7941	Cc1cnccc1C(=O)S.O=C(S)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)S)cc21	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	Thioacid_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amide_coupling	7942	Cc1cnccc1C(=O)S.Nc1occ(CCc2cnccc2C(=O)S)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het5
+amide_coupling	7942	Cc1cnccc1C(=O)S.Nc1occ(CCc2cnccc2C(=O)S)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het5
 amide_coupling	7943	Cc1cnccc1C(=O)S.Nc1oc2c(CCc3cnccc3C(=O)S)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)S)occ2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het5Het5
 amide_coupling	7944	Cc1cnccc1C(=O)S.Nc1oc2cc(CCc3cnccc3C(=O)S)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het5Het6
 amide_coupling	7945	Cc1cnccc1C(=O)S.Nc1oc2ccc(CCc3cnccc3C(=O)S)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het5Phe
-amide_coupling	7946	Cc1cnccc1C(=O)S.Nc1nccc(CCc2cnccc2C(=O)S)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het6
+amide_coupling	7946	Cc1cnccc1C(=O)S.Nc1nccc(CCc2cnccc2C(=O)S)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)S)c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het6
 amide_coupling	7947	Cc1cnccc1C(=O)S.Nc1c(Cc2cnccc2C(=O)S)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)S)nc2cocc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het6Het5
 amide_coupling	7948	Cc1cnccc1C(=O)S.Nc1ncc2cc(CCc3cnccc3C(=O)S)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)S)ncc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het6Het6
 amide_coupling	7949	Cc1cnccc1C(=O)S.Nc1ncc2ccc(CCc3cnccc3C(=O)S)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)S)cc2c1N	[S,O;D1;$(SC(=[S,O])[#6]),$(OC(=S)[#6]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	Thioacid_Heteroaromatic.Amine_Primary_Het6Phe
@@ -7966,7 +7966,7 @@ amine_acetylation	7964	CCCC(=O)Br.O=C(Br)CCCCNC=CNc1ccccc1>>CCCC(=O)N(C=CNCCCCC(
 amine_acetylation	7965	CCCC(=O)Br.O=C(Br)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCC(=O)N1c2ccccc2CCC(CCCC(=O)Br)Cc2ccccc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	7966	CCCC(=O)Br.O=C(Br)CCCc1ccc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ccc(CCCC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	7967	CCCC(=O)Br.O=C(Br)CCCc1ccc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ccc(CCCC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	7968	CCCC(=O)Br.Nc1cccc(CCCCC(=O)Br)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	7968	CCCC(=O)Br.Nc1cccc(CCCCC(=O)Br)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	7969	CCCC(=O)Br.Nc1cc2ccc(CCCCC(=O)Br)cc2cc1N>>CCCC(=O)Nc1cc2ccc(CCCCC(=O)Br)cc2cc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	7970	CCCC(=O)Br.CC(CCCC(=O)Br)c1ccc(Nc2ccncc2N)cc1>>CCCC(=O)N(c1ccc(C(C)CCCC(=O)Br)cc1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	7971	CCCC(=O)Br.Nc1cnccc1Nc1cncc(CCCCC(=O)Br)c1>>CCCC(=O)N(c1cncc(CCCCC(=O)Br)c1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -7976,11 +7976,11 @@ amine_acetylation	7974	CCCC(=O)Br.O=C(Br)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCC(=O)N1c
 amine_acetylation	7975	CCCC(=O)Br.O=C(Br)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCC(=O)N1c2ccncc2CCC(CCCC(=O)Br)Cc2ccncc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	7976	CCCC(=O)Br.O=C(Br)CCCc1cnc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ncc(CCCC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	7977	CCCC(=O)Br.O=C(Br)CCCc1cnc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ncc(CCCC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	7978	CCCC(=O)Br.Nc1occ(CCCCC(=O)Br)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	7978	CCCC(=O)Br.Nc1occ(CCCCC(=O)Br)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	7979	CCCC(=O)Br.Nc1oc2c(CCCCC(=O)Br)occ2c1N>>CCCC(=O)Nc1oc2c(CCCCC(=O)Br)occ2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	7980	CCCC(=O)Br.Nc1oc2cc(CCCCC(=O)Br)ncc2c1N>>CCCC(=O)Nc1oc2cc(CCCCC(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	7981	CCCC(=O)Br.Nc1oc2ccc(CCCCC(=O)Br)cc2c1N>>CCCC(=O)Nc1oc2ccc(CCCCC(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	7982	CCCC(=O)Br.Nc1nccc(CCCCC(=O)Br)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	7982	CCCC(=O)Br.Nc1nccc(CCCCC(=O)Br)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	7983	CCCC(=O)Br.Nc1c(CCCC(=O)Br)nc2cocc2c1N>>CCCC(=O)Nc1c(CCCC(=O)Br)nc2cocc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	7984	CCCC(=O)Br.Nc1ncc2cc(CCCCC(=O)Br)ncc2c1N>>CCCC(=O)Nc1ncc2cc(CCCCC(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	7985	CCCC(=O)Br.Nc1ncc2ccc(CCCCC(=O)Br)cc2c1N>>CCCC(=O)Nc1ncc2ccc(CCCCC(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8002,7 +8002,7 @@ amine_acetylation	8000	CCC=CC(=O)Br.O=C(Br)C=CCCCNC=CNc1ccccc1>>CCC=CC(=O)N(C=CN
 amine_acetylation	8001	CCC=CC(=O)Br.O=C(Br)C=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)Br)Cc2ccccc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8002	CCC=CC(=O)Br.O=C(Br)C=CCCc1ccc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8003	CCC=CC(=O)Br.O=C(Br)C=CCCc1ccc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8004	CCC=CC(=O)Br.Nc1cccc(CCCC=CC(=O)Br)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8004	CCC=CC(=O)Br.Nc1cccc(CCCC=CC(=O)Br)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8005	CCC=CC(=O)Br.Nc1cc2ccc(CCCC=CC(=O)Br)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)Br)cc2cc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8006	CCC=CC(=O)Br.CC(CCC=CC(=O)Br)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)Br)cc1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8007	CCC=CC(=O)Br.Nc1cnccc1Nc1cncc(CCCC=CC(=O)Br)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)Br)c1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8012,11 +8012,11 @@ amine_acetylation	8010	CCC=CC(=O)Br.O=C(Br)C=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CC(
 amine_acetylation	8011	CCC=CC(=O)Br.O=C(Br)C=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)Br)Cc2ccncc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8012	CCC=CC(=O)Br.O=C(Br)C=CCCc1cnc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8013	CCC=CC(=O)Br.O=C(Br)C=CCCc1cnc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8014	CCC=CC(=O)Br.Nc1occ(CCCC=CC(=O)Br)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8014	CCC=CC(=O)Br.Nc1occ(CCCC=CC(=O)Br)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8015	CCC=CC(=O)Br.Nc1oc2c(CCCC=CC(=O)Br)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)Br)occ2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8016	CCC=CC(=O)Br.Nc1oc2cc(CCCC=CC(=O)Br)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8017	CCC=CC(=O)Br.Nc1oc2ccc(CCCC=CC(=O)Br)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8018	CCC=CC(=O)Br.Nc1nccc(CCCC=CC(=O)Br)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8018	CCC=CC(=O)Br.Nc1nccc(CCCC=CC(=O)Br)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8019	CCC=CC(=O)Br.Nc1c(CCC=CC(=O)Br)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)Br)nc2cocc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8020	CCC=CC(=O)Br.Nc1ncc2cc(CCCC=CC(=O)Br)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8021	CCC=CC(=O)Br.Nc1ncc2ccc(CCCC=CC(=O)Br)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8038,7 +8038,7 @@ amine_acetylation	8036	CCCC(=O)Cl.O=C(Cl)CCCCNC=CNc1ccccc1>>CCCC(=O)N(C=CNCCCCC(
 amine_acetylation	8037	CCCC(=O)Cl.O=C(Cl)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCC(=O)N1c2ccccc2CCC(CCCC(=O)Cl)Cc2ccccc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8038	CCCC(=O)Cl.O=C(Cl)CCCc1ccc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ccc(CCCC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8039	CCCC(=O)Cl.O=C(Cl)CCCc1ccc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ccc(CCCC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8040	CCCC(=O)Cl.Nc1cccc(CCCCC(=O)Cl)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8040	CCCC(=O)Cl.Nc1cccc(CCCCC(=O)Cl)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8041	CCCC(=O)Cl.Nc1cc2ccc(CCCCC(=O)Cl)cc2cc1N>>CCCC(=O)Nc1cc2ccc(CCCCC(=O)Cl)cc2cc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8042	CCCC(=O)Cl.CC(CCCC(=O)Cl)c1ccc(Nc2ccncc2N)cc1>>CCCC(=O)N(c1ccc(C(C)CCCC(=O)Cl)cc1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8043	CCCC(=O)Cl.Nc1cnccc1Nc1cncc(CCCCC(=O)Cl)c1>>CCCC(=O)N(c1cncc(CCCCC(=O)Cl)c1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8048,11 +8048,11 @@ amine_acetylation	8046	CCCC(=O)Cl.O=C(Cl)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCC(=O)N1c
 amine_acetylation	8047	CCCC(=O)Cl.O=C(Cl)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCC(=O)N1c2ccncc2CCC(CCCC(=O)Cl)Cc2ccncc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8048	CCCC(=O)Cl.O=C(Cl)CCCc1cnc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ncc(CCCC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8049	CCCC(=O)Cl.O=C(Cl)CCCc1cnc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ncc(CCCC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8050	CCCC(=O)Cl.Nc1occ(CCCCC(=O)Cl)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8050	CCCC(=O)Cl.Nc1occ(CCCCC(=O)Cl)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8051	CCCC(=O)Cl.Nc1oc2c(CCCCC(=O)Cl)occ2c1N>>CCCC(=O)Nc1oc2c(CCCCC(=O)Cl)occ2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8052	CCCC(=O)Cl.Nc1oc2cc(CCCCC(=O)Cl)ncc2c1N>>CCCC(=O)Nc1oc2cc(CCCCC(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8053	CCCC(=O)Cl.Nc1oc2ccc(CCCCC(=O)Cl)cc2c1N>>CCCC(=O)Nc1oc2ccc(CCCCC(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8054	CCCC(=O)Cl.Nc1nccc(CCCCC(=O)Cl)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8054	CCCC(=O)Cl.Nc1nccc(CCCCC(=O)Cl)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8055	CCCC(=O)Cl.Nc1c(CCCC(=O)Cl)nc2cocc2c1N>>CCCC(=O)Nc1c(CCCC(=O)Cl)nc2cocc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8056	CCCC(=O)Cl.Nc1ncc2cc(CCCCC(=O)Cl)ncc2c1N>>CCCC(=O)Nc1ncc2cc(CCCCC(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8057	CCCC(=O)Cl.Nc1ncc2ccc(CCCCC(=O)Cl)cc2c1N>>CCCC(=O)Nc1ncc2ccc(CCCCC(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8074,7 +8074,7 @@ amine_acetylation	8072	CCC=CC(=O)Cl.O=C(Cl)C=CCCCNC=CNc1ccccc1>>CCC=CC(=O)N(C=CN
 amine_acetylation	8073	CCC=CC(=O)Cl.O=C(Cl)C=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)Cl)Cc2ccccc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8074	CCC=CC(=O)Cl.O=C(Cl)C=CCCc1ccc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8075	CCC=CC(=O)Cl.O=C(Cl)C=CCCc1ccc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8076	CCC=CC(=O)Cl.Nc1cccc(CCCC=CC(=O)Cl)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8076	CCC=CC(=O)Cl.Nc1cccc(CCCC=CC(=O)Cl)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8077	CCC=CC(=O)Cl.Nc1cc2ccc(CCCC=CC(=O)Cl)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)Cl)cc2cc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8078	CCC=CC(=O)Cl.CC(CCC=CC(=O)Cl)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)Cl)cc1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8079	CCC=CC(=O)Cl.Nc1cnccc1Nc1cncc(CCCC=CC(=O)Cl)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)Cl)c1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8084,11 +8084,11 @@ amine_acetylation	8082	CCC=CC(=O)Cl.O=C(Cl)C=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CC(
 amine_acetylation	8083	CCC=CC(=O)Cl.O=C(Cl)C=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)Cl)Cc2ccncc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8084	CCC=CC(=O)Cl.O=C(Cl)C=CCCc1cnc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8085	CCC=CC(=O)Cl.O=C(Cl)C=CCCc1cnc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8086	CCC=CC(=O)Cl.Nc1occ(CCCC=CC(=O)Cl)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8086	CCC=CC(=O)Cl.Nc1occ(CCCC=CC(=O)Cl)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8087	CCC=CC(=O)Cl.Nc1oc2c(CCCC=CC(=O)Cl)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)Cl)occ2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8088	CCC=CC(=O)Cl.Nc1oc2cc(CCCC=CC(=O)Cl)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8089	CCC=CC(=O)Cl.Nc1oc2ccc(CCCC=CC(=O)Cl)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8090	CCC=CC(=O)Cl.Nc1nccc(CCCC=CC(=O)Cl)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8090	CCC=CC(=O)Cl.Nc1nccc(CCCC=CC(=O)Cl)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8091	CCC=CC(=O)Cl.Nc1c(CCC=CC(=O)Cl)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)Cl)nc2cocc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8092	CCC=CC(=O)Cl.Nc1ncc2cc(CCCC=CC(=O)Cl)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8093	CCC=CC(=O)Cl.Nc1ncc2ccc(CCCC=CC(=O)Cl)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8110,7 +8110,7 @@ amine_acetylation	8108	CCCC(=O)F.O=C(F)CCCCNC=CNc1ccccc1>>CCCC(=O)N(C=CNCCCCC(=O
 amine_acetylation	8109	CCCC(=O)F.O=C(F)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCC(=O)N1c2ccccc2CCC(CCCC(=O)F)Cc2ccccc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8110	CCCC(=O)F.O=C(F)CCCc1ccc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ccc(CCCC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8111	CCCC(=O)F.O=C(F)CCCc1ccc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ccc(CCCC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8112	CCCC(=O)F.Nc1cccc(CCCCC(=O)F)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8112	CCCC(=O)F.Nc1cccc(CCCCC(=O)F)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8113	CCCC(=O)F.Nc1cc2ccc(CCCCC(=O)F)cc2cc1N>>CCCC(=O)Nc1cc2ccc(CCCCC(=O)F)cc2cc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8114	CCCC(=O)F.CC(CCCC(=O)F)c1ccc(Nc2ccncc2N)cc1>>CCCC(=O)N(c1ccc(C(C)CCCC(=O)F)cc1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8115	CCCC(=O)F.Nc1cnccc1Nc1cncc(CCCCC(=O)F)c1>>CCCC(=O)N(c1cncc(CCCCC(=O)F)c1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8120,11 +8120,11 @@ amine_acetylation	8118	CCCC(=O)F.O=C(F)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCC(=O)N1c2c
 amine_acetylation	8119	CCCC(=O)F.O=C(F)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCC(=O)N1c2ccncc2CCC(CCCC(=O)F)Cc2ccncc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8120	CCCC(=O)F.O=C(F)CCCc1cnc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ncc(CCCC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8121	CCCC(=O)F.O=C(F)CCCc1cnc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ncc(CCCC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8122	CCCC(=O)F.Nc1occ(CCCCC(=O)F)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8122	CCCC(=O)F.Nc1occ(CCCCC(=O)F)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8123	CCCC(=O)F.Nc1oc2c(CCCCC(=O)F)occ2c1N>>CCCC(=O)Nc1oc2c(CCCCC(=O)F)occ2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8124	CCCC(=O)F.Nc1oc2cc(CCCCC(=O)F)ncc2c1N>>CCCC(=O)Nc1oc2cc(CCCCC(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8125	CCCC(=O)F.Nc1oc2ccc(CCCCC(=O)F)cc2c1N>>CCCC(=O)Nc1oc2ccc(CCCCC(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8126	CCCC(=O)F.Nc1nccc(CCCCC(=O)F)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8126	CCCC(=O)F.Nc1nccc(CCCCC(=O)F)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8127	CCCC(=O)F.Nc1c(CCCC(=O)F)nc2cocc2c1N>>CCCC(=O)Nc1c(CCCC(=O)F)nc2cocc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8128	CCCC(=O)F.Nc1ncc2cc(CCCCC(=O)F)ncc2c1N>>CCCC(=O)Nc1ncc2cc(CCCCC(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8129	CCCC(=O)F.Nc1ncc2ccc(CCCCC(=O)F)cc2c1N>>CCCC(=O)Nc1ncc2ccc(CCCCC(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8146,7 +8146,7 @@ amine_acetylation	8144	CCC=CC(=O)F.O=C(F)C=CCCCNC=CNc1ccccc1>>CCC=CC(=O)N(C=CNCC
 amine_acetylation	8145	CCC=CC(=O)F.O=C(F)C=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)F)Cc2ccccc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8146	CCC=CC(=O)F.O=C(F)C=CCCc1ccc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8147	CCC=CC(=O)F.O=C(F)C=CCCc1ccc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8148	CCC=CC(=O)F.Nc1cccc(CCCC=CC(=O)F)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8148	CCC=CC(=O)F.Nc1cccc(CCCC=CC(=O)F)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8149	CCC=CC(=O)F.Nc1cc2ccc(CCCC=CC(=O)F)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)F)cc2cc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8150	CCC=CC(=O)F.CC(CCC=CC(=O)F)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)F)cc1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8151	CCC=CC(=O)F.Nc1cnccc1Nc1cncc(CCCC=CC(=O)F)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)F)c1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8156,11 +8156,11 @@ amine_acetylation	8154	CCC=CC(=O)F.O=C(F)C=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CC(=O
 amine_acetylation	8155	CCC=CC(=O)F.O=C(F)C=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)F)Cc2ccncc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8156	CCC=CC(=O)F.O=C(F)C=CCCc1cnc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8157	CCC=CC(=O)F.O=C(F)C=CCCc1cnc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8158	CCC=CC(=O)F.Nc1occ(CCCC=CC(=O)F)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8158	CCC=CC(=O)F.Nc1occ(CCCC=CC(=O)F)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8159	CCC=CC(=O)F.Nc1oc2c(CCCC=CC(=O)F)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)F)occ2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8160	CCC=CC(=O)F.Nc1oc2cc(CCCC=CC(=O)F)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8161	CCC=CC(=O)F.Nc1oc2ccc(CCCC=CC(=O)F)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8162	CCC=CC(=O)F.Nc1nccc(CCCC=CC(=O)F)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8162	CCC=CC(=O)F.Nc1nccc(CCCC=CC(=O)F)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8163	CCC=CC(=O)F.Nc1c(CCC=CC(=O)F)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)F)nc2cocc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8164	CCC=CC(=O)F.Nc1ncc2cc(CCCC=CC(=O)F)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8165	CCC=CC(=O)F.Nc1ncc2ccc(CCCC=CC(=O)F)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8182,7 +8182,7 @@ amine_acetylation	8180	CCCC(=O)I.O=C(I)CCCCNC=CNc1ccccc1>>CCCC(=O)N(C=CNCCCCC(=O
 amine_acetylation	8181	CCCC(=O)I.O=C(I)CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCC(=O)N1c2ccccc2CCC(CCCC(=O)I)Cc2ccccc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8182	CCCC(=O)I.O=C(I)CCCc1ccc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ccc(CCCC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8183	CCCC(=O)I.O=C(I)CCCc1ccc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ccc(CCCC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8184	CCCC(=O)I.Nc1cccc(CCCCC(=O)I)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8184	CCCC(=O)I.Nc1cccc(CCCCC(=O)I)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8185	CCCC(=O)I.Nc1cc2ccc(CCCCC(=O)I)cc2cc1N>>CCCC(=O)Nc1cc2ccc(CCCCC(=O)I)cc2cc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8186	CCCC(=O)I.CC(CCCC(=O)I)c1ccc(Nc2ccncc2N)cc1>>CCCC(=O)N(c1ccc(C(C)CCCC(=O)I)cc1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8187	CCCC(=O)I.Nc1cnccc1Nc1cncc(CCCCC(=O)I)c1>>CCCC(=O)N(c1cncc(CCCCC(=O)I)c1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8192,11 +8192,11 @@ amine_acetylation	8190	CCCC(=O)I.O=C(I)CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCC(=O)N1c2c
 amine_acetylation	8191	CCCC(=O)I.O=C(I)CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCC(=O)N1c2ccncc2CCC(CCCC(=O)I)Cc2ccncc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8192	CCCC(=O)I.O=C(I)CCCc1cnc2c(c1)NCCC2>>CCCC(=O)N1CCCc2ncc(CCCC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8193	CCCC(=O)I.O=C(I)CCCc1cnc2c(c1)NC=CC2>>CCCC(=O)N1C=CCc2ncc(CCCC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8194	CCCC(=O)I.Nc1occ(CCCCC(=O)I)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8194	CCCC(=O)I.Nc1occ(CCCCC(=O)I)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8195	CCCC(=O)I.Nc1oc2c(CCCCC(=O)I)occ2c1N>>CCCC(=O)Nc1oc2c(CCCCC(=O)I)occ2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8196	CCCC(=O)I.Nc1oc2cc(CCCCC(=O)I)ncc2c1N>>CCCC(=O)Nc1oc2cc(CCCCC(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8197	CCCC(=O)I.Nc1oc2ccc(CCCCC(=O)I)cc2c1N>>CCCC(=O)Nc1oc2ccc(CCCCC(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8198	CCCC(=O)I.Nc1nccc(CCCCC(=O)I)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8198	CCCC(=O)I.Nc1nccc(CCCCC(=O)I)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8199	CCCC(=O)I.Nc1c(CCCC(=O)I)nc2cocc2c1N>>CCCC(=O)Nc1c(CCCC(=O)I)nc2cocc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8200	CCCC(=O)I.Nc1ncc2cc(CCCCC(=O)I)ncc2c1N>>CCCC(=O)Nc1ncc2cc(CCCCC(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8201	CCCC(=O)I.Nc1ncc2ccc(CCCCC(=O)I)cc2c1N>>CCCC(=O)Nc1ncc2ccc(CCCCC(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8218,7 +8218,7 @@ amine_acetylation	8216	CCC=CC(=O)I.O=C(I)C=CCCCNC=CNc1ccccc1>>CCC=CC(=O)N(C=CNCC
 amine_acetylation	8217	CCC=CC(=O)I.O=C(I)C=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)I)Cc2ccccc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8218	CCC=CC(=O)I.O=C(I)C=CCCc1ccc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8219	CCC=CC(=O)I.O=C(I)C=CCCc1ccc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8220	CCC=CC(=O)I.Nc1cccc(CCCC=CC(=O)I)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8220	CCC=CC(=O)I.Nc1cccc(CCCC=CC(=O)I)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8221	CCC=CC(=O)I.Nc1cc2ccc(CCCC=CC(=O)I)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)I)cc2cc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8222	CCC=CC(=O)I.CC(CCC=CC(=O)I)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)I)cc1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8223	CCC=CC(=O)I.Nc1cnccc1Nc1cncc(CCCC=CC(=O)I)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)I)c1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8228,11 +8228,11 @@ amine_acetylation	8226	CCC=CC(=O)I.O=C(I)C=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=CC(=O
 amine_acetylation	8227	CCC=CC(=O)I.O=C(I)C=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)I)Cc2ccncc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8228	CCC=CC(=O)I.O=C(I)C=CCCc1cnc2c(c1)NCCC2>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8229	CCC=CC(=O)I.O=C(I)C=CCCc1cnc2c(c1)NC=CC2>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8230	CCC=CC(=O)I.Nc1occ(CCCC=CC(=O)I)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8230	CCC=CC(=O)I.Nc1occ(CCCC=CC(=O)I)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8231	CCC=CC(=O)I.Nc1oc2c(CCCC=CC(=O)I)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)I)occ2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8232	CCC=CC(=O)I.Nc1oc2cc(CCCC=CC(=O)I)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8233	CCC=CC(=O)I.Nc1oc2ccc(CCCC=CC(=O)I)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8234	CCC=CC(=O)I.Nc1nccc(CCCC=CC(=O)I)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8234	CCC=CC(=O)I.Nc1nccc(CCCC=CC(=O)I)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8235	CCC=CC(=O)I.Nc1c(CCC=CC(=O)I)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)I)nc2cocc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8236	CCC=CC(=O)I.Nc1ncc2cc(CCCC=CC(=O)I)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8237	CCC=CC(=O)I.Nc1ncc2ccc(CCCC=CC(=O)I)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8254,7 +8254,7 @@ amine_acetylation	8252	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCCNC=CNc1ccccc1)OS(=O)(=
 amine_acetylation	8253	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCC1CCc2ccccc2Nc2ccccc2C1)OS(=O)(=O)C(F)(F)F>>CCCC(=O)N1c2ccccc2CCC(CCCC(=O)OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8254	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCc1ccc2c(c1)NCCC2)OS(=O)(=O)C(F)(F)F>>CCCC(=O)N1CCCc2ccc(CCCC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8255	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCc1ccc2c(c1)NC=CC2)OS(=O)(=O)C(F)(F)F>>CCCC(=O)N1C=CCc2ccc(CCCC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8256	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8256	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCC(=O)Nc1cccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8257	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N>>CCCC(=O)Nc1cc2ccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8258	CCCC(=O)OS(=O)(=O)C(F)(F)F.CC(CCCC(=O)OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>CCCC(=O)N(c1ccc(C(C)CCCC(=O)OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8259	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1>>CCCC(=O)N(c1cncc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8264,11 +8264,11 @@ amine_acetylation	8262	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCC1CCc2ccncc2Nc2ccccc2C1
 amine_acetylation	8263	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCC1CCc2cnccc2Nc2cnccc2C1)OS(=O)(=O)C(F)(F)F>>CCCC(=O)N1c2ccncc2CCC(CCCC(=O)OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8264	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCc1cnc2c(c1)NCCC2)OS(=O)(=O)C(F)(F)F>>CCCC(=O)N1CCCc2ncc(CCCC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8265	CCCC(=O)OS(=O)(=O)C(F)(F)F.O=C(CCCc1cnc2c(c1)NC=CC2)OS(=O)(=O)C(F)(F)F>>CCCC(=O)N1C=CCc2ncc(CCCC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8266	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8266	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCC(=O)Nc1occ(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8267	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCCCC(=O)OS(=O)(=O)C(F)(F)F)occ2c1N>>CCCC(=O)Nc1oc2c(CCCCC(=O)OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8268	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCCC(=O)Nc1oc2cc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8269	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCCC(=O)Nc1oc2ccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8270	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8270	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCCC(=O)Nc1nccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8271	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1c(CCCC(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>CCCC(=O)Nc1c(CCCC(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8272	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCCC(=O)Nc1ncc2cc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8273	CCCC(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCCC(=O)Nc1ncc2ccc(CCCCC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([!$(**C=C);!$(**C#C);!$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8290,7 +8290,7 @@ amine_acetylation	8288	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCCNC=CNc1ccccc1)OS(=
 amine_acetylation	8289	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCC1CCc2ccccc2Nc2ccccc2C1)OS(=O)(=O)C(F)(F)F>>CCC=CC(=O)N1c2ccccc2CCC(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8290	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCc1ccc2c(c1)NCCC2)OS(=O)(=O)C(F)(F)F>>CCC=CC(=O)N1CCCc2ccc(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8291	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCc1ccc2c(c1)NC=CC2)OS(=O)(=O)C(F)(F)F>>CCC=CC(=O)N1C=CCc2ccc(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8292	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Phe
+amine_acetylation	8292	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCC=CC(=O)Nc1cccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Phe
 amine_acetylation	8293	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N>>CCC=CC(=O)Nc1cc2ccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_PhePhe
 amine_acetylation	8294	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.CC(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>CCC=CC(=O)N(c1ccc(C(C)CCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8295	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1>>CCC=CC(=O)N(c1cncc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8300,11 +8300,11 @@ amine_acetylation	8298	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCC1CCc2ccncc2Nc2cccc
 amine_acetylation	8299	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCC1CCc2cnccc2Nc2cnccc2C1)OS(=O)(=O)C(F)(F)F>>CCC=CC(=O)N1c2ccncc2CCC(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8300	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCc1cnc2c(c1)NCCC2)OS(=O)(=O)C(F)(F)F>>CCC=CC(=O)N1CCCc2ncc(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8301	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.O=C(C=CCCc1cnc2c(c1)NC=CC2)OS(=O)(=O)C(F)(F)F>>CCC=CC(=O)N1C=CCc2ncc(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8302	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het5
+amine_acetylation	8302	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCC=CC(=O)Nc1occ(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het5
 amine_acetylation	8303	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)occ2c1N>>CCC=CC(=O)Nc1oc2c(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 amine_acetylation	8304	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCC=CC(=O)Nc1oc2cc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 amine_acetylation	8305	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCC=CC(=O)Nc1oc2ccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-amine_acetylation	8306	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het6
+amine_acetylation	8306	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N>>CCC=CC(=O)Nc1nccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het6
 amine_acetylation	8307	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1c(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>CCC=CC(=O)Nc1c(CCC=CC(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 amine_acetylation	8308	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>CCC=CC(=O)Nc1ncc2cc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 amine_acetylation	8309	CCC=CC(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>CCC=CC(=O)Nc1ncc2ccc(CCCC=CC(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**C=C),$(**C#C),$(**C#N);!$(**a)]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8326,7 +8326,7 @@ amine_acetylation	8324	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc
 amine_acetylation	8325	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)Br)Cc2ccccc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8326	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8327	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8328	Cc1ccccc1C(=O)Br.Nc1cccc(CCc2ccccc2C(=O)Br)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Phe
+amine_acetylation	8328	Cc1ccccc1C(=O)Br.Nc1cccc(CCc2ccccc2C(=O)Br)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Phe
 amine_acetylation	8329	Cc1ccccc1C(=O)Br.Nc1cc2ccc(CCc3ccccc3C(=O)Br)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)Br)cc2cc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_PhePhe
 amine_acetylation	8330	Cc1ccccc1C(=O)Br.CC(Cc1ccccc1C(=O)Br)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)Br)cc1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8331	Cc1ccccc1C(=O)Br.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)Br)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)Br)c1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8336,11 +8336,11 @@ amine_acetylation	8334	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>
 amine_acetylation	8335	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)Br)Cc2ccncc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8336	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8337	Cc1ccccc1C(=O)Br.O=C(Br)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8338	Cc1ccccc1C(=O)Br.Nc1occ(CCc2ccccc2C(=O)Br)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het5
+amine_acetylation	8338	Cc1ccccc1C(=O)Br.Nc1occ(CCc2ccccc2C(=O)Br)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het5
 amine_acetylation	8339	Cc1ccccc1C(=O)Br.Nc1oc2c(CCc3ccccc3C(=O)Br)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)Br)occ2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het5Het5
 amine_acetylation	8340	Cc1ccccc1C(=O)Br.Nc1oc2cc(CCc3ccccc3C(=O)Br)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het5Het6
 amine_acetylation	8341	Cc1ccccc1C(=O)Br.Nc1oc2ccc(CCc3ccccc3C(=O)Br)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het5Phe
-amine_acetylation	8342	Cc1ccccc1C(=O)Br.Nc1nccc(CCc2ccccc2C(=O)Br)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het6
+amine_acetylation	8342	Cc1ccccc1C(=O)Br.Nc1nccc(CCc2ccccc2C(=O)Br)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het6
 amine_acetylation	8343	Cc1ccccc1C(=O)Br.Nc1c(Cc2ccccc2C(=O)Br)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)Br)nc2cocc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het6Het5
 amine_acetylation	8344	Cc1ccccc1C(=O)Br.Nc1ncc2cc(CCc3ccccc3C(=O)Br)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het6Het6
 amine_acetylation	8345	Cc1ccccc1C(=O)Br.Nc1ncc2ccc(CCc3ccccc3C(=O)Br)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Aromatic.Amine_Primary_Het6Phe
@@ -8362,7 +8362,7 @@ amine_acetylation	8360	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc
 amine_acetylation	8361	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)Cl)Cc2ccccc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8362	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8363	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8364	Cc1ccccc1C(=O)Cl.Nc1cccc(CCc2ccccc2C(=O)Cl)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Phe
+amine_acetylation	8364	Cc1ccccc1C(=O)Cl.Nc1cccc(CCc2ccccc2C(=O)Cl)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Phe
 amine_acetylation	8365	Cc1ccccc1C(=O)Cl.Nc1cc2ccc(CCc3ccccc3C(=O)Cl)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)Cl)cc2cc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_PhePhe
 amine_acetylation	8366	Cc1ccccc1C(=O)Cl.CC(Cc1ccccc1C(=O)Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)Cl)cc1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8367	Cc1ccccc1C(=O)Cl.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)Cl)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)Cl)c1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8372,11 +8372,11 @@ amine_acetylation	8370	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>
 amine_acetylation	8371	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)Cl)Cc2ccncc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8372	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8373	Cc1ccccc1C(=O)Cl.O=C(Cl)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8374	Cc1ccccc1C(=O)Cl.Nc1occ(CCc2ccccc2C(=O)Cl)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het5
+amine_acetylation	8374	Cc1ccccc1C(=O)Cl.Nc1occ(CCc2ccccc2C(=O)Cl)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het5
 amine_acetylation	8375	Cc1ccccc1C(=O)Cl.Nc1oc2c(CCc3ccccc3C(=O)Cl)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)Cl)occ2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het5Het5
 amine_acetylation	8376	Cc1ccccc1C(=O)Cl.Nc1oc2cc(CCc3ccccc3C(=O)Cl)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het5Het6
 amine_acetylation	8377	Cc1ccccc1C(=O)Cl.Nc1oc2ccc(CCc3ccccc3C(=O)Cl)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het5Phe
-amine_acetylation	8378	Cc1ccccc1C(=O)Cl.Nc1nccc(CCc2ccccc2C(=O)Cl)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het6
+amine_acetylation	8378	Cc1ccccc1C(=O)Cl.Nc1nccc(CCc2ccccc2C(=O)Cl)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het6
 amine_acetylation	8379	Cc1ccccc1C(=O)Cl.Nc1c(Cc2ccccc2C(=O)Cl)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)Cl)nc2cocc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het6Het5
 amine_acetylation	8380	Cc1ccccc1C(=O)Cl.Nc1ncc2cc(CCc3ccccc3C(=O)Cl)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het6Het6
 amine_acetylation	8381	Cc1ccccc1C(=O)Cl.Nc1ncc2ccc(CCc3ccccc3C(=O)Cl)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Aromatic.Amine_Primary_Het6Phe
@@ -8398,7 +8398,7 @@ amine_acetylation	8396	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1C
 amine_acetylation	8397	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)F)Cc2ccccc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8398	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8399	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8400	Cc1ccccc1C(=O)F.Nc1cccc(CCc2ccccc2C(=O)F)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Phe
+amine_acetylation	8400	Cc1ccccc1C(=O)F.Nc1cccc(CCc2ccccc2C(=O)F)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Phe
 amine_acetylation	8401	Cc1ccccc1C(=O)F.Nc1cc2ccc(CCc3ccccc3C(=O)F)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)F)cc2cc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_PhePhe
 amine_acetylation	8402	Cc1ccccc1C(=O)F.CC(Cc1ccccc1C(=O)F)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)F)cc1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8403	Cc1ccccc1C(=O)F.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)F)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)F)c1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8408,11 +8408,11 @@ amine_acetylation	8406	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>C
 amine_acetylation	8407	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)F)Cc2ccncc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8408	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8409	Cc1ccccc1C(=O)F.O=C(F)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8410	Cc1ccccc1C(=O)F.Nc1occ(CCc2ccccc2C(=O)F)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het5
+amine_acetylation	8410	Cc1ccccc1C(=O)F.Nc1occ(CCc2ccccc2C(=O)F)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het5
 amine_acetylation	8411	Cc1ccccc1C(=O)F.Nc1oc2c(CCc3ccccc3C(=O)F)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)F)occ2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het5Het5
 amine_acetylation	8412	Cc1ccccc1C(=O)F.Nc1oc2cc(CCc3ccccc3C(=O)F)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het5Het6
 amine_acetylation	8413	Cc1ccccc1C(=O)F.Nc1oc2ccc(CCc3ccccc3C(=O)F)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het5Phe
-amine_acetylation	8414	Cc1ccccc1C(=O)F.Nc1nccc(CCc2ccccc2C(=O)F)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het6
+amine_acetylation	8414	Cc1ccccc1C(=O)F.Nc1nccc(CCc2ccccc2C(=O)F)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het6
 amine_acetylation	8415	Cc1ccccc1C(=O)F.Nc1c(Cc2ccccc2C(=O)F)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)F)nc2cocc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het6Het5
 amine_acetylation	8416	Cc1ccccc1C(=O)F.Nc1ncc2cc(CCc3ccccc3C(=O)F)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het6Het6
 amine_acetylation	8417	Cc1ccccc1C(=O)F.Nc1ncc2ccc(CCc3ccccc3C(=O)F)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Aromatic.Amine_Primary_Het6Phe
@@ -8434,7 +8434,7 @@ amine_acetylation	8432	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1C
 amine_acetylation	8433	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)I)Cc2ccccc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8434	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8435	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8436	Cc1ccccc1C(=O)I.Nc1cccc(CCc2ccccc2C(=O)I)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Phe
+amine_acetylation	8436	Cc1ccccc1C(=O)I.Nc1cccc(CCc2ccccc2C(=O)I)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Phe
 amine_acetylation	8437	Cc1ccccc1C(=O)I.Nc1cc2ccc(CCc3ccccc3C(=O)I)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)I)cc2cc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_PhePhe
 amine_acetylation	8438	Cc1ccccc1C(=O)I.CC(Cc1ccccc1C(=O)I)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)I)cc1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8439	Cc1ccccc1C(=O)I.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)I)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)I)c1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8444,11 +8444,11 @@ amine_acetylation	8442	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1CC1CCc2ccncc2Nc2ccccc2C1>>C
 amine_acetylation	8443	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)I)Cc2ccncc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8444	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8445	Cc1ccccc1C(=O)I.O=C(I)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8446	Cc1ccccc1C(=O)I.Nc1occ(CCc2ccccc2C(=O)I)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het5
+amine_acetylation	8446	Cc1ccccc1C(=O)I.Nc1occ(CCc2ccccc2C(=O)I)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het5
 amine_acetylation	8447	Cc1ccccc1C(=O)I.Nc1oc2c(CCc3ccccc3C(=O)I)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)I)occ2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het5Het5
 amine_acetylation	8448	Cc1ccccc1C(=O)I.Nc1oc2cc(CCc3ccccc3C(=O)I)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het5Het6
 amine_acetylation	8449	Cc1ccccc1C(=O)I.Nc1oc2ccc(CCc3ccccc3C(=O)I)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het5Phe
-amine_acetylation	8450	Cc1ccccc1C(=O)I.Nc1nccc(CCc2ccccc2C(=O)I)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het6
+amine_acetylation	8450	Cc1ccccc1C(=O)I.Nc1nccc(CCc2ccccc2C(=O)I)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het6
 amine_acetylation	8451	Cc1ccccc1C(=O)I.Nc1c(Cc2ccccc2C(=O)I)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)I)nc2cocc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het6Het5
 amine_acetylation	8452	Cc1ccccc1C(=O)I.Nc1ncc2cc(CCc3ccccc3C(=O)I)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het6Het6
 amine_acetylation	8453	Cc1ccccc1C(=O)I.Nc1ncc2ccc(CCc3ccccc3C(=O)I)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Aromatic.Amine_Primary_Het6Phe
@@ -8470,7 +8470,7 @@ amine_acetylation	8468	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c
 amine_acetylation	8469	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1C(=O)N1c2ccccc2CCC(Cc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8470	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ccc(Cc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8471	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ccc(Cc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8472	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Phe
+amine_acetylation	8472	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1ccccc1C(=O)Nc1cccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Phe
 amine_acetylation	8473	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1ccccc1C(=O)Nc1cc2ccc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_PhePhe
 amine_acetylation	8474	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.CC(Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1C(=O)N(c1ccc(C(C)Cc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8475	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1>>Cc1ccccc1C(=O)N(c1cncc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8480,11 +8480,11 @@ amine_acetylation	8478	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c
 amine_acetylation	8479	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1C(=O)N1c2ccncc2CCC(Cc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8480	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1C(=O)N1CCCc2ncc(Cc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8481	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1C(=O)N1C=CCc2ncc(Cc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8482	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het5
+amine_acetylation	8482	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1ccccc1C(=O)Nc1occ(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het5
 amine_acetylation	8483	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1ccccc1C(=O)Nc1oc2c(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het5Het5
 amine_acetylation	8484	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1ccccc1C(=O)Nc1oc2cc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het5Het6
 amine_acetylation	8485	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1ccccc1C(=O)Nc1oc2ccc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het5Phe
-amine_acetylation	8486	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het6
+amine_acetylation	8486	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1ccccc1C(=O)Nc1nccc(CCc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het6
 amine_acetylation	8487	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1c(Cc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1ccccc1C(=O)Nc1c(Cc2ccccc2C(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het6Het5
 amine_acetylation	8488	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1ccccc1C(=O)Nc1ncc2cc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het6Het6
 amine_acetylation	8489	Cc1ccccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1ccccc1C(=O)Nc1ncc2ccc(CCc3ccccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[c;$(c1ccccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Aromatic.Amine_Primary_Het6Phe
@@ -8506,7 +8506,7 @@ amine_acetylation	8504	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc
 amine_acetylation	8505	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)Br)Cc2ccccc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8506	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8507	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8508	Cc1cnccc1C(=O)Br.Nc1cccc(CCc2cnccc2C(=O)Br)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Phe
+amine_acetylation	8508	Cc1cnccc1C(=O)Br.Nc1cccc(CCc2cnccc2C(=O)Br)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Phe
 amine_acetylation	8509	Cc1cnccc1C(=O)Br.Nc1cc2ccc(CCc3cnccc3C(=O)Br)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)Br)cc2cc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_PhePhe
 amine_acetylation	8510	Cc1cnccc1C(=O)Br.CC(Cc1cnccc1C(=O)Br)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)Br)cc1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8511	Cc1cnccc1C(=O)Br.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)Br)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)Br)c1)c1ccncc1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8516,11 +8516,11 @@ amine_acetylation	8514	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>
 amine_acetylation	8515	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)Br)Cc2ccncc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8516	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8517	Cc1cnccc1C(=O)Br.O=C(Br)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)Br)cc21	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Bromide_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8518	Cc1cnccc1C(=O)Br.Nc1occ(CCc2cnccc2C(=O)Br)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het5
+amine_acetylation	8518	Cc1cnccc1C(=O)Br.Nc1occ(CCc2cnccc2C(=O)Br)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het5
 amine_acetylation	8519	Cc1cnccc1C(=O)Br.Nc1oc2c(CCc3cnccc3C(=O)Br)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)Br)occ2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het5Het5
 amine_acetylation	8520	Cc1cnccc1C(=O)Br.Nc1oc2cc(CCc3cnccc3C(=O)Br)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het5Het6
 amine_acetylation	8521	Cc1cnccc1C(=O)Br.Nc1oc2ccc(CCc3cnccc3C(=O)Br)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het5Phe
-amine_acetylation	8522	Cc1cnccc1C(=O)Br.Nc1nccc(CCc2cnccc2C(=O)Br)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het6
+amine_acetylation	8522	Cc1cnccc1C(=O)Br.Nc1nccc(CCc2cnccc2C(=O)Br)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)Br)c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het6
 amine_acetylation	8523	Cc1cnccc1C(=O)Br.Nc1c(Cc2cnccc2C(=O)Br)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)Br)nc2cocc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het6Het5
 amine_acetylation	8524	Cc1cnccc1C(=O)Br.Nc1ncc2cc(CCc3cnccc3C(=O)Br)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)Br)ncc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het6Het6
 amine_acetylation	8525	Cc1cnccc1C(=O)Br.Nc1ncc2ccc(CCc3cnccc3C(=O)Br)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)Br)cc2c1N	[Br;$([Br][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Bromide_Heteroaromatic.Amine_Primary_Het6Phe
@@ -8542,7 +8542,7 @@ amine_acetylation	8540	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc
 amine_acetylation	8541	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)Cl)Cc2ccccc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8542	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8543	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8544	Cc1cnccc1C(=O)Cl.Nc1cccc(CCc2cnccc2C(=O)Cl)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Phe
+amine_acetylation	8544	Cc1cnccc1C(=O)Cl.Nc1cccc(CCc2cnccc2C(=O)Cl)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Phe
 amine_acetylation	8545	Cc1cnccc1C(=O)Cl.Nc1cc2ccc(CCc3cnccc3C(=O)Cl)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)Cl)cc2cc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_PhePhe
 amine_acetylation	8546	Cc1cnccc1C(=O)Cl.CC(Cc1cnccc1C(=O)Cl)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)Cl)cc1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8547	Cc1cnccc1C(=O)Cl.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)Cl)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)Cl)c1)c1ccncc1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8552,11 +8552,11 @@ amine_acetylation	8550	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>
 amine_acetylation	8551	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)Cl)Cc2ccncc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8552	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8553	Cc1cnccc1C(=O)Cl.O=C(Cl)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)Cl)cc21	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Chloride_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8554	Cc1cnccc1C(=O)Cl.Nc1occ(CCc2cnccc2C(=O)Cl)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het5
+amine_acetylation	8554	Cc1cnccc1C(=O)Cl.Nc1occ(CCc2cnccc2C(=O)Cl)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het5
 amine_acetylation	8555	Cc1cnccc1C(=O)Cl.Nc1oc2c(CCc3cnccc3C(=O)Cl)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)Cl)occ2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het5Het5
 amine_acetylation	8556	Cc1cnccc1C(=O)Cl.Nc1oc2cc(CCc3cnccc3C(=O)Cl)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het5Het6
 amine_acetylation	8557	Cc1cnccc1C(=O)Cl.Nc1oc2ccc(CCc3cnccc3C(=O)Cl)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het5Phe
-amine_acetylation	8558	Cc1cnccc1C(=O)Cl.Nc1nccc(CCc2cnccc2C(=O)Cl)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het6
+amine_acetylation	8558	Cc1cnccc1C(=O)Cl.Nc1nccc(CCc2cnccc2C(=O)Cl)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)Cl)c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het6
 amine_acetylation	8559	Cc1cnccc1C(=O)Cl.Nc1c(Cc2cnccc2C(=O)Cl)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)Cl)nc2cocc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het6Het5
 amine_acetylation	8560	Cc1cnccc1C(=O)Cl.Nc1ncc2cc(CCc3cnccc3C(=O)Cl)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)Cl)ncc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het6Het6
 amine_acetylation	8561	Cc1cnccc1C(=O)Cl.Nc1ncc2ccc(CCc3cnccc3C(=O)Cl)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)Cl)cc2c1N	[Cl;$([Cl][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Chloride_Heteroaromatic.Amine_Primary_Het6Phe
@@ -8578,7 +8578,7 @@ amine_acetylation	8576	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1C
 amine_acetylation	8577	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)F)Cc2ccccc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8578	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8579	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8580	Cc1cnccc1C(=O)F.Nc1cccc(CCc2cnccc2C(=O)F)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Phe
+amine_acetylation	8580	Cc1cnccc1C(=O)F.Nc1cccc(CCc2cnccc2C(=O)F)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Phe
 amine_acetylation	8581	Cc1cnccc1C(=O)F.Nc1cc2ccc(CCc3cnccc3C(=O)F)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)F)cc2cc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_PhePhe
 amine_acetylation	8582	Cc1cnccc1C(=O)F.CC(Cc1cnccc1C(=O)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)F)cc1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8583	Cc1cnccc1C(=O)F.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)F)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)F)c1)c1ccncc1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8588,11 +8588,11 @@ amine_acetylation	8586	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>C
 amine_acetylation	8587	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)F)Cc2ccncc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8588	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8589	Cc1cnccc1C(=O)F.O=C(F)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)F)cc21	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Fluoride_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8590	Cc1cnccc1C(=O)F.Nc1occ(CCc2cnccc2C(=O)F)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het5
+amine_acetylation	8590	Cc1cnccc1C(=O)F.Nc1occ(CCc2cnccc2C(=O)F)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het5
 amine_acetylation	8591	Cc1cnccc1C(=O)F.Nc1oc2c(CCc3cnccc3C(=O)F)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)F)occ2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het5Het5
 amine_acetylation	8592	Cc1cnccc1C(=O)F.Nc1oc2cc(CCc3cnccc3C(=O)F)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het5Het6
 amine_acetylation	8593	Cc1cnccc1C(=O)F.Nc1oc2ccc(CCc3cnccc3C(=O)F)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het5Phe
-amine_acetylation	8594	Cc1cnccc1C(=O)F.Nc1nccc(CCc2cnccc2C(=O)F)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het6
+amine_acetylation	8594	Cc1cnccc1C(=O)F.Nc1nccc(CCc2cnccc2C(=O)F)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)F)c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het6
 amine_acetylation	8595	Cc1cnccc1C(=O)F.Nc1c(Cc2cnccc2C(=O)F)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)F)nc2cocc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het6Het5
 amine_acetylation	8596	Cc1cnccc1C(=O)F.Nc1ncc2cc(CCc3cnccc3C(=O)F)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)F)ncc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het6Het6
 amine_acetylation	8597	Cc1cnccc1C(=O)F.Nc1ncc2ccc(CCc3cnccc3C(=O)F)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)F)cc2c1N	[F;$([F][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Fluoride_Heteroaromatic.Amine_Primary_Het6Phe
@@ -8614,7 +8614,7 @@ amine_acetylation	8612	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1C
 amine_acetylation	8613	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)I)Cc2ccccc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8614	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8615	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8616	Cc1cnccc1C(=O)I.Nc1cccc(CCc2cnccc2C(=O)I)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Phe
+amine_acetylation	8616	Cc1cnccc1C(=O)I.Nc1cccc(CCc2cnccc2C(=O)I)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Phe
 amine_acetylation	8617	Cc1cnccc1C(=O)I.Nc1cc2ccc(CCc3cnccc3C(=O)I)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)I)cc2cc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_PhePhe
 amine_acetylation	8618	Cc1cnccc1C(=O)I.CC(Cc1cnccc1C(=O)I)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)I)cc1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8619	Cc1cnccc1C(=O)I.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)I)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)I)c1)c1ccncc1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8624,11 +8624,11 @@ amine_acetylation	8622	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1CC1CCc2ccncc2Nc2ccccc2C1>>C
 amine_acetylation	8623	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)I)Cc2ccncc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8624	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8625	Cc1cnccc1C(=O)I.O=C(I)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)I)cc21	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Iodide_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8626	Cc1cnccc1C(=O)I.Nc1occ(CCc2cnccc2C(=O)I)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het5
+amine_acetylation	8626	Cc1cnccc1C(=O)I.Nc1occ(CCc2cnccc2C(=O)I)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het5
 amine_acetylation	8627	Cc1cnccc1C(=O)I.Nc1oc2c(CCc3cnccc3C(=O)I)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)I)occ2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het5Het5
 amine_acetylation	8628	Cc1cnccc1C(=O)I.Nc1oc2cc(CCc3cnccc3C(=O)I)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het5Het6
 amine_acetylation	8629	Cc1cnccc1C(=O)I.Nc1oc2ccc(CCc3cnccc3C(=O)I)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het5Phe
-amine_acetylation	8630	Cc1cnccc1C(=O)I.Nc1nccc(CCc2cnccc2C(=O)I)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het6
+amine_acetylation	8630	Cc1cnccc1C(=O)I.Nc1nccc(CCc2cnccc2C(=O)I)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)I)c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het6
 amine_acetylation	8631	Cc1cnccc1C(=O)I.Nc1c(Cc2cnccc2C(=O)I)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)I)nc2cocc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het6Het5
 amine_acetylation	8632	Cc1cnccc1C(=O)I.Nc1ncc2cc(CCc3cnccc3C(=O)I)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)I)ncc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het6Het6
 amine_acetylation	8633	Cc1cnccc1C(=O)I.Nc1ncc2ccc(CCc3cnccc3C(=O)I)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)I)cc2c1N	[I;$([I][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Iodide_Heteroaromatic.Amine_Primary_Het6Phe
@@ -8650,7 +8650,7 @@ amine_acetylation	8648	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c
 amine_acetylation	8649	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccncc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1cnccc1C(=O)N1c2ccccc2CCC(Cc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)Cc2ccccc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 amine_acetylation	8650	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccncc1Cc1ccc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ccc(Cc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 amine_acetylation	8651	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccncc1Cc1ccc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ccc(Cc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-amine_acetylation	8652	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Phe
+amine_acetylation	8652	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1C(=O)Nc1cccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Phe
 amine_acetylation	8653	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cc2ccc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N>>Cc1cnccc1C(=O)Nc1cc2ccc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2cc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_PhePhe
 amine_acetylation	8654	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.CC(Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1C(=O)N(c1ccc(C(C)Cc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)cc1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 amine_acetylation	8655	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1>>Cc1cnccc1C(=O)N(c1cncc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1)c1ccncc1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8660,11 +8660,11 @@ amine_acetylation	8658	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c
 amine_acetylation	8659	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccncc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1cnccc1C(=O)N1c2ccncc2CCC(Cc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)Cc2ccncc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 amine_acetylation	8660	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccncc1Cc1cnc2c(c1)NCCC2>>Cc1cnccc1C(=O)N1CCCc2ncc(Cc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 amine_acetylation	8661	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.O=C(OS(=O)(=O)C(F)(F)F)c1ccncc1Cc1cnc2c(c1)NC=CC2>>Cc1cnccc1C(=O)N1C=CCc2ncc(Cc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc21	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2][N:3]([#6:4])[#6:5]	AcidX-Triflate_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-amine_acetylation	8662	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het5
+amine_acetylation	8662	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1occ(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1C(=O)Nc1occ(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het5
 amine_acetylation	8663	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2c(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)occ2c1N>>Cc1cnccc1C(=O)Nc1oc2c(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)occ2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het5Het5
 amine_acetylation	8664	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2cc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cnccc1C(=O)Nc1oc2cc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het5Het6
 amine_acetylation	8665	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1oc2ccc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cnccc1C(=O)Nc1oc2ccc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het5Phe
-amine_acetylation	8666	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het6
+amine_acetylation	8666	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1nccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N>>Cc1cnccc1C(=O)Nc1nccc(CCc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het6
 amine_acetylation	8667	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1c(Cc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N>>Cc1cnccc1C(=O)Nc1c(Cc2cnccc2C(=O)OS(=O)(=O)C(F)(F)F)nc2cocc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het6Het5
 amine_acetylation	8668	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2cc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N>>Cc1cnccc1C(=O)Nc1ncc2cc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)ncc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het6Het6
 amine_acetylation	8669	Cc1cnccc1C(=O)OS(=O)(=O)C(F)(F)F.Nc1ncc2ccc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N>>Cc1cnccc1C(=O)Nc1ncc2ccc(CCc3cnccc3C(=O)OS(=O)(=O)C(F)(F)F)cc2c1N	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][C;$(C(=O));!$(C([#7,#8,#15,#16])(=[O;D1])[#9,#17,#35,#53])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1][*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2][N:3][#6:4]	AcidX-Triflate_Heteroaromatic.Amine_Primary_Het6Phe
@@ -8686,7 +8686,7 @@ reductive_amination_aldehyde	8684	CCC=O.O=CCCCNC=CNc1ccccc1>>CCCN(C=CNCCCC=O)c1c
 reductive_amination_aldehyde	8685	CCC=O.O=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCCN1c2ccccc2CCC(CCC=O)Cc2ccccc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_aldehyde	8686	CCC=O.O=CCCc1ccc2c(c1)NCCC2>>CCCN1CCCc2ccc(CCC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_aldehyde	8687	CCC=O.O=CCCc1ccc2c(c1)NC=CC2>>CCCN1C=CCc2ccc(CCC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_aldehyde	8688	CCC=O.Nc1cccc(CCCC=O)c1N>>CCCNc1cccc(CCCC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Phe
+reductive_amination_aldehyde	8688	CCC=O.Nc1cccc(CCCC=O)c1N>>CCCNc1cccc(CCCC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Phe
 reductive_amination_aldehyde	8689	CCC=O.Nc1cc2ccc(CCCC=O)cc2cc1N>>CCCNc1cc2ccc(CCCC=O)cc2cc1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_PhePhe
 reductive_amination_aldehyde	8690	CCC=O.CC(CCC=O)c1ccc(Nc2ccncc2N)cc1>>CCCN(c1ccc(C(C)CCC=O)cc1)c1ccncc1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_aldehyde	8691	CCC=O.Nc1cnccc1Nc1cncc(CCCC=O)c1>>CCCN(c1cncc(CCCC=O)c1)c1ccncc1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8696,11 +8696,11 @@ reductive_amination_aldehyde	8694	CCC=O.O=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCCN1c2cnc
 reductive_amination_aldehyde	8695	CCC=O.O=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCCN1c2ccncc2CCC(CCC=O)Cc2ccncc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_aldehyde	8696	CCC=O.O=CCCc1cnc2c(c1)NCCC2>>CCCN1CCCc2ncc(CCC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_aldehyde	8697	CCC=O.O=CCCc1cnc2c(c1)NC=CC2>>CCCN1C=CCc2ncc(CCC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_SaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_aldehyde	8698	CCC=O.Nc1occ(CCCC=O)c1N>>CCCNc1occ(CCCC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5
+reductive_amination_aldehyde	8698	CCC=O.Nc1occ(CCCC=O)c1N>>CCCNc1occ(CCCC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5
 reductive_amination_aldehyde	8699	CCC=O.Nc1oc2c(CCCC=O)occ2c1N>>CCCNc1oc2c(CCCC=O)occ2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5Het5
 reductive_amination_aldehyde	8700	CCC=O.Nc1oc2cc(CCCC=O)ncc2c1N>>CCCNc1oc2cc(CCCC=O)ncc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5Het6
 reductive_amination_aldehyde	8701	CCC=O.Nc1oc2ccc(CCCC=O)cc2c1N>>CCCNc1oc2ccc(CCCC=O)cc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het5Phe
-reductive_amination_aldehyde	8702	CCC=O.Nc1nccc(CCCC=O)c1N>>CCCNc1nccc(CCCC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6
+reductive_amination_aldehyde	8702	CCC=O.Nc1nccc(CCCC=O)c1N>>CCCNc1nccc(CCCC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6
 reductive_amination_aldehyde	8703	CCC=O.Nc1c(CCC=O)nc2cocc2c1N>>CCCNc1c(CCC=O)nc2cocc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6Het5
 reductive_amination_aldehyde	8704	CCC=O.Nc1ncc2cc(CCCC=O)ncc2c1N>>CCCNc1ncc2cc(CCCC=O)ncc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6Het6
 reductive_amination_aldehyde	8705	CCC=O.Nc1ncc2ccc(CCCC=O)cc2c1N>>CCCNc1ncc2ccc(CCCC=O)cc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([!$(*C=C);!$(*C#C);!$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_SaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8722,7 +8722,7 @@ reductive_amination_aldehyde	8720	CCC=CC=O.O=CC=CCCCNC=CNc1ccccc1>>CCC=CCN(C=CNC
 reductive_amination_aldehyde	8721	CCC=CC=O.O=CC=CCCC1CCc2ccccc2Nc2ccccc2C1>>CCC=CCN1c2ccccc2CCC(CCC=CC=O)Cc2ccccc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_aldehyde	8722	CCC=CC=O.O=CC=CCCc1ccc2c(c1)NCCC2>>CCC=CCN1CCCc2ccc(CCC=CC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_aldehyde	8723	CCC=CC=O.O=CC=CCCc1ccc2c(c1)NC=CC2>>CCC=CCN1C=CCc2ccc(CCC=CC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_aldehyde	8724	CCC=CC=O.Nc1cccc(CCCC=CC=O)c1N>>CCC=CCNc1cccc(CCCC=CC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Phe
+reductive_amination_aldehyde	8724	CCC=CC=O.Nc1cccc(CCCC=CC=O)c1N>>CCC=CCNc1cccc(CCCC=CC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Phe
 reductive_amination_aldehyde	8725	CCC=CC=O.Nc1cc2ccc(CCCC=CC=O)cc2cc1N>>CCC=CCNc1cc2ccc(CCCC=CC=O)cc2cc1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_PhePhe
 reductive_amination_aldehyde	8726	CCC=CC=O.CC(CCC=CC=O)c1ccc(Nc2ccncc2N)cc1>>CCC=CCN(c1ccc(C(C)CCC=CC=O)cc1)c1ccncc1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_aldehyde	8727	CCC=CC=O.Nc1cnccc1Nc1cncc(CCCC=CC=O)c1>>CCC=CCN(c1cncc(CCCC=CC=O)c1)c1ccncc1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8732,11 +8732,11 @@ reductive_amination_aldehyde	8730	CCC=CC=O.O=CC=CCCC1CCc2ccncc2Nc2ccccc2C1>>CCC=
 reductive_amination_aldehyde	8731	CCC=CC=O.O=CC=CCCC1CCc2cnccc2Nc2cnccc2C1>>CCC=CCN1c2ccncc2CCC(CCC=CC=O)Cc2ccncc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_aldehyde	8732	CCC=CC=O.O=CC=CCCc1cnc2c(c1)NCCC2>>CCC=CCN1CCCc2ncc(CCC=CC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_aldehyde	8733	CCC=CC=O.O=CC=CCCc1cnc2c(c1)NC=CC2>>CCC=CCN1C=CCc2ncc(CCC=CC=O)cc21	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_UnsaturatedAliphatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_aldehyde	8734	CCC=CC=O.Nc1occ(CCCC=CC=O)c1N>>CCC=CCNc1occ(CCCC=CC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5
+reductive_amination_aldehyde	8734	CCC=CC=O.Nc1occ(CCCC=CC=O)c1N>>CCC=CCNc1occ(CCCC=CC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5
 reductive_amination_aldehyde	8735	CCC=CC=O.Nc1oc2c(CCCC=CC=O)occ2c1N>>CCC=CCNc1oc2c(CCCC=CC=O)occ2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5Het5
 reductive_amination_aldehyde	8736	CCC=CC=O.Nc1oc2cc(CCCC=CC=O)ncc2c1N>>CCC=CCNc1oc2cc(CCCC=CC=O)ncc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5Het6
 reductive_amination_aldehyde	8737	CCC=CC=O.Nc1oc2ccc(CCCC=CC=O)cc2c1N>>CCC=CCNc1oc2ccc(CCCC=CC=O)cc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het5Phe
-reductive_amination_aldehyde	8738	CCC=CC=O.Nc1nccc(CCCC=CC=O)c1N>>CCC=CCNc1nccc(CCCC=CC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6
+reductive_amination_aldehyde	8738	CCC=CC=O.Nc1nccc(CCCC=CC=O)c1N>>CCC=CCNc1nccc(CCCC=CC=O)c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6
 reductive_amination_aldehyde	8739	CCC=CC=O.Nc1c(CCC=CC=O)nc2cocc2c1N>>CCC=CCNc1c(CCC=CC=O)nc2cocc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6Het5
 reductive_amination_aldehyde	8740	CCC=CC=O.Nc1ncc2cc(CCCC=CC=O)ncc2c1N>>CCC=CCNc1ncc2cc(CCCC=CC=O)ncc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6Het6
 reductive_amination_aldehyde	8741	CCC=CC=O.Nc1ncc2ccc(CCCC=CC=O)cc2c1N>>CCC=CCNc1ncc2ccc(CCCC=CC=O)cc2c1N	[C;$([C;H1,H2]=O);!$(C(=O)[!#6]);$([$(*C=C),$(*C#C),$(*C#N);!$(*a)]):1][A:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_UnsaturatedAliphatic.Amine_Primary_Het6Phe
@@ -8758,7 +8758,7 @@ reductive_amination_aldehyde	8756	Cc1ccccc1C=O.O=Cc1ccccc1CCNC=CNc1ccccc1>>Cc1cc
 reductive_amination_aldehyde	8757	Cc1ccccc1C=O.O=Cc1ccccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccccc1CN1c2ccccc2CCC(Cc2ccccc2C=O)Cc2ccccc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_aldehyde	8758	Cc1ccccc1C=O.O=Cc1ccccc1Cc1ccc2c(c1)NCCC2>>Cc1ccccc1CN1CCCc2ccc(Cc3ccccc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_aldehyde	8759	Cc1ccccc1C=O.O=Cc1ccccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccccc1CN1C=CCc2ccc(Cc3ccccc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_aldehyde	8760	Cc1ccccc1C=O.Nc1cccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1CNc1cccc(CCc2ccccc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Phe
+reductive_amination_aldehyde	8760	Cc1ccccc1C=O.Nc1cccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1CNc1cccc(CCc2ccccc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Phe
 reductive_amination_aldehyde	8761	Cc1ccccc1C=O.Nc1cc2ccc(CCc3ccccc3C=O)cc2cc1N>>Cc1ccccc1CNc1cc2ccc(CCc3ccccc3C=O)cc2cc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_PhePhe
 reductive_amination_aldehyde	8762	Cc1ccccc1C=O.CC(Cc1ccccc1C=O)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1CN(c1ccc(C(C)Cc2ccccc2C=O)cc1)c1ccncc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_aldehyde	8763	Cc1ccccc1C=O.Nc1cnccc1Nc1cncc(CCc2ccccc2C=O)c1>>Cc1ccccc1CN(c1cncc(CCc2ccccc2C=O)c1)c1ccncc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8768,11 +8768,11 @@ reductive_amination_aldehyde	8766	Cc1ccccc1C=O.O=Cc1ccccc1CC1CCc2ccncc2Nc2ccccc2
 reductive_amination_aldehyde	8767	Cc1ccccc1C=O.O=Cc1ccccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccccc1CN1c2ccncc2CCC(Cc2ccccc2C=O)Cc2ccncc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_aldehyde	8768	Cc1ccccc1C=O.O=Cc1ccccc1Cc1cnc2c(c1)NCCC2>>Cc1ccccc1CN1CCCc2ncc(Cc3ccccc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_aldehyde	8769	Cc1ccccc1C=O.O=Cc1ccccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccccc1CN1C=CCc2ncc(Cc3ccccc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Aromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_aldehyde	8770	Cc1ccccc1C=O.Nc1occ(CCc2ccccc2C=O)c1N>>Cc1ccccc1CNc1occ(CCc2ccccc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het5
+reductive_amination_aldehyde	8770	Cc1ccccc1C=O.Nc1occ(CCc2ccccc2C=O)c1N>>Cc1ccccc1CNc1occ(CCc2ccccc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het5
 reductive_amination_aldehyde	8771	Cc1ccccc1C=O.Nc1oc2c(CCc3ccccc3C=O)occ2c1N>>Cc1ccccc1CNc1oc2c(CCc3ccccc3C=O)occ2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het5Het5
 reductive_amination_aldehyde	8772	Cc1ccccc1C=O.Nc1oc2cc(CCc3ccccc3C=O)ncc2c1N>>Cc1ccccc1CNc1oc2cc(CCc3ccccc3C=O)ncc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het5Het6
 reductive_amination_aldehyde	8773	Cc1ccccc1C=O.Nc1oc2ccc(CCc3ccccc3C=O)cc2c1N>>Cc1ccccc1CNc1oc2ccc(CCc3ccccc3C=O)cc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het5Phe
-reductive_amination_aldehyde	8774	Cc1ccccc1C=O.Nc1nccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1CNc1nccc(CCc2ccccc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het6
+reductive_amination_aldehyde	8774	Cc1ccccc1C=O.Nc1nccc(CCc2ccccc2C=O)c1N>>Cc1ccccc1CNc1nccc(CCc2ccccc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het6
 reductive_amination_aldehyde	8775	Cc1ccccc1C=O.Nc1c(Cc2ccccc2C=O)nc2cocc2c1N>>Cc1ccccc1CNc1c(Cc2ccccc2C=O)nc2cocc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het6Het5
 reductive_amination_aldehyde	8776	Cc1ccccc1C=O.Nc1ncc2cc(CCc3ccccc3C=O)ncc2c1N>>Cc1ccccc1CNc1ncc2cc(CCc3ccccc3C=O)ncc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het6Het6
 reductive_amination_aldehyde	8777	Cc1ccccc1C=O.Nc1ncc2ccc(CCc3ccccc3C=O)cc2c1N>>Cc1ccccc1CNc1ncc2ccc(CCc3ccccc3C=O)cc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Aromatic.Amine_Primary_Het6Phe
@@ -8794,7 +8794,7 @@ reductive_amination_aldehyde	8792	Cc1ccncc1C=O.O=Cc1cnccc1CCNC=CNc1ccccc1>>Cc1cc
 reductive_amination_aldehyde	8793	Cc1ccncc1C=O.O=Cc1cnccc1CC1CCc2ccccc2Nc2ccccc2C1>>Cc1ccncc1CN1c2ccccc2CCC(Cc2ccncc2C=O)Cc2ccccc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_CyclicSecondary_Aromatic-Aromatic
 reductive_amination_aldehyde	8794	Cc1ccncc1C=O.O=Cc1cnccc1Cc1ccc2c(c1)NCCC2>>Cc1ccncc1CN1CCCc2ccc(Cc3ccncc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Aromatic
 reductive_amination_aldehyde	8795	Cc1ccncc1C=O.O=Cc1cnccc1Cc1ccc2c(c1)NC=CC2>>Cc1ccncc1CN1C=CCc2ccc(Cc3ccncc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Aromatic
-reductive_amination_aldehyde	8796	Cc1ccncc1C=O.Nc1cccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1CNc1cccc(CCc2ccncc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Phe
+reductive_amination_aldehyde	8796	Cc1ccncc1C=O.Nc1cccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1CNc1cccc(CCc2ccncc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Phe
 reductive_amination_aldehyde	8797	Cc1ccncc1C=O.Nc1cc2ccc(CCc3ccncc3C=O)cc2cc1N>>Cc1ccncc1CNc1cc2ccc(CCc3ccncc3C=O)cc2cc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_PhePhe
 reductive_amination_aldehyde	8798	Cc1ccncc1C=O.CC(Cc1ccncc1C=O)c1ccc(Nc2ccncc2N)cc1>>Cc1ccncc1CN(c1ccc(C(C)Cc2ccncc2C=O)cc1)c1ccncc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 reductive_amination_aldehyde	8799	Cc1ccncc1C=O.Nc1cnccc1Nc1cncc(CCc2ccncc2C=O)c1>>Cc1ccncc1CN(c1cncc(CCc2ccncc2C=O)c1)c1ccncc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
@@ -8804,11 +8804,11 @@ reductive_amination_aldehyde	8802	Cc1ccncc1C=O.O=Cc1cnccc1CC1CCc2ccncc2Nc2ccccc2
 reductive_amination_aldehyde	8803	Cc1ccncc1C=O.O=Cc1cnccc1CC1CCc2cnccc2Nc2cnccc2C1>>Cc1ccncc1CN1c2ccncc2CCC(Cc2ccncc2C=O)Cc2ccncc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_CyclicSecondary_Heteroaromatic-Heteroaromatic
 reductive_amination_aldehyde	8804	Cc1ccncc1C=O.O=Cc1cnccc1Cc1cnc2c(c1)NCCC2>>Cc1ccncc1CN1CCCc2ncc(Cc3ccncc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_CyclicSecondary_SaturatedAliphatic-Heteroaromatic
 reductive_amination_aldehyde	8805	Cc1ccncc1C=O.O=Cc1cnccc1Cc1cnc2c(c1)NC=CC2>>Cc1ccncc1CN1C=CCc2ncc(Cc3ccncc3C=O)cc21	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]):3]([#6:4])[#6:5]>>[*:2]C[N:3]([#6:4])[#6:5]	Aldehyde_Heteroaromatic.Amine_CyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-reductive_amination_aldehyde	8806	Cc1ccncc1C=O.Nc1occ(CCc2ccncc2C=O)c1N>>Cc1ccncc1CNc1occ(CCc2ccncc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het5
+reductive_amination_aldehyde	8806	Cc1ccncc1C=O.Nc1occ(CCc2ccncc2C=O)c1N>>Cc1ccncc1CNc1occ(CCc2ccncc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het5
 reductive_amination_aldehyde	8807	Cc1ccncc1C=O.Nc1oc2c(CCc3ccncc3C=O)occ2c1N>>Cc1ccncc1CNc1oc2c(CCc3ccncc3C=O)occ2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het5Het5
 reductive_amination_aldehyde	8808	Cc1ccncc1C=O.Nc1oc2cc(CCc3ccncc3C=O)ncc2c1N>>Cc1ccncc1CNc1oc2cc(CCc3ccncc3C=O)ncc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het5Het6
 reductive_amination_aldehyde	8809	Cc1ccncc1C=O.Nc1oc2ccc(CCc3ccncc3C=O)cc2c1N>>Cc1ccncc1CNc1oc2ccc(CCc3ccncc3C=O)cc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het5Phe
-reductive_amination_aldehyde	8810	Cc1ccncc1C=O.Nc1nccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1CNc1nccc(CCc2ccncc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het6
+reductive_amination_aldehyde	8810	Cc1ccncc1C=O.Nc1nccc(CCc2ccncc2C=O)c1N>>Cc1ccncc1CNc1nccc(CCc2ccncc2C=O)c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het6
 reductive_amination_aldehyde	8811	Cc1ccncc1C=O.Nc1c(Cc2ccncc2C=O)nc2cocc2c1N>>Cc1ccncc1CNc1c(Cc2ccncc2C=O)nc2cocc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het6Het5
 reductive_amination_aldehyde	8812	Cc1ccncc1C=O.Nc1ncc2cc(CCc3ccncc3C=O)ncc2c1N>>Cc1ccncc1CNc1ncc2cc(CCc3ccncc3C=O)ncc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het6Het6
 reductive_amination_aldehyde	8813	Cc1ccncc1C=O.Nc1ncc2ccc(CCc3ccncc3C=O)cc2c1N>>Cc1ccncc1CNc1ncc2ccc(CCc3ccncc3C=O)cc2c1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_Het6Phe
@@ -8816,221 +8816,221 @@ reductive_amination_aldehyde	8814	Cc1ccncc1C=O.Nc1c(Cc2ccncc2C=O)cc2cocc2c1N>>Cc
 reductive_amination_aldehyde	8815	Cc1ccncc1C=O.Nc1cc2cncc(CCc3ccncc3C=O)c2cc1N>>Cc1ccncc1CNc1cc2cncc(CCc3ccncc3C=O)c2cc1N	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Amine_Primary_PheHet6
 reductive_amination_aldehyde	8816	Cc1ccncc1C=O.NCc1ccccc1CCCc1ccncc1C=O>>Cc1ccncc1CNCc1ccccc1CCCc1ccncc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;$(c1ccccc1)]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.Benzylamine_primary
 reductive_amination_aldehyde	8817	Cc1ccncc1C=O.NCc1cnccc1CCCc1ccncc1C=O>>Cc1ccncc1CNCc1cnccc1CCCc1ccncc1C=O	[C;$([C;D1,D2;H1,H2]=O);!$(C(=O)[!#6]);$([$(*[a;$(a1aaaaa1)]),$(*[a;$(a1aaaa1)]);!$(*[c;$(c1ccccc1)])]):1][a:2].[N;X3;D1;$(N[C;X4][c;!$(c1ccccc1)]):3][#6:4]>>[*:2]C[N:3][#6:4]	Aldehyde_Heteroaromatic.HeteroBenzylamine_primary
-C_C_decarboxylation	8818	CCCC(=O)OC.COC(=O)CCCc1ccccc1Br>>CCCc1ccccc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Phe
+C_C_decarboxylation	8818	CCCC(=O)OC.COC(=O)CCCc1ccccc1Br>>CCCc1ccccc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Phe
 C_C_decarboxylation	8819	CCCC(=O)OC.COC(=O)CCCc1c(Br)ccc2ccccc12>>CCCc1ccc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_PhePhe
-C_C_decarboxylation	8820	CCCC(=O)OC.COC(=O)CCCc1ccccc1I>>CCCc1ccccc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Phe
+C_C_decarboxylation	8820	CCCC(=O)OC.COC(=O)CCCc1ccccc1I>>CCCc1ccccc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Phe
 C_C_decarboxylation	8821	CCCC(=O)OC.COC(=O)CCCc1c(I)ccc2ccccc12>>CCCc1ccc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_PhePhe
-C_C_decarboxylation	8822	CCCC(=O)OC.COC(=O)CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCc1cccc(CCCC(=O)OC)c1	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Phe
+C_C_decarboxylation	8822	CCCC(=O)OC.COC(=O)CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCc1cccc(CCCC(=O)OC)c1	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Phe
 C_C_decarboxylation	8823	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>CCCc1ccc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_PhePhe
-C_C_decarboxylation	8824	CCCC(=O)OC.COC(=O)CCCc1cocc1Br>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het5
+C_C_decarboxylation	8824	CCCC(=O)OC.COC(=O)CCCc1cocc1Br>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het5
 C_C_decarboxylation	8825	CCCC(=O)OC.COC(=O)CCCc1c(Br)oc2cocc12>>CCCc1oc2cocc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het5Het5
 C_C_decarboxylation	8826	CCCC(=O)OC.COC(=O)CCCc1c(Br)oc2ccncc12>>CCCc1oc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het5Het6
 C_C_decarboxylation	8827	CCCC(=O)OC.COC(=O)CCCc1c(Br)oc2ccccc12>>CCCc1oc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het5Phe
-C_C_decarboxylation	8828	CCCC(=O)OC.COC(=O)CCCc1cnccc1Br>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het6
+C_C_decarboxylation	8828	CCCC(=O)OC.COC(=O)CCCc1cnccc1Br>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het6
 C_C_decarboxylation	8829	CCCC(=O)OC.COC(=O)CCCc1nc2cocc2cc1Br>>CCCc1cc2cocc2nc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het6Het5
 C_C_decarboxylation	8830	CCCC(=O)OC.COC(=O)CCCc1c(Br)ncc2ccncc12>>CCCc1ncc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het6Het6
 C_C_decarboxylation	8831	CCCC(=O)OC.COC(=O)CCCc1c(Br)ncc2ccccc12>>CCCc1ncc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_Het6Phe
 C_C_decarboxylation	8832	CCCC(=O)OC.COC(=O)CCCc1cc2cocc2cc1Br>>CCCc1cc2cocc2cc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_PheHet5
 C_C_decarboxylation	8833	CCCC(=O)OC.COC(=O)CCCCc1c(Br)ccc2ccncc12>>CCCc1ccc2ccncc2c1CCCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Bromide_PheHet6
-C_C_decarboxylation	8834	CCCC(=O)OC.COC(=O)CCCc1cocc1Cl>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het5
+C_C_decarboxylation	8834	CCCC(=O)OC.COC(=O)CCCc1cocc1Cl>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het5
 C_C_decarboxylation	8835	CCCC(=O)OC.COC(=O)CCCc1c(Cl)oc2cocc12>>CCCc1oc2cocc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het5Het5
 C_C_decarboxylation	8836	CCCC(=O)OC.COC(=O)CCCc1c(Cl)oc2ccncc12>>CCCc1oc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het5Het6
 C_C_decarboxylation	8837	CCCC(=O)OC.COC(=O)CCCc1c(Cl)oc2ccccc12>>CCCc1oc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het5Phe
-C_C_decarboxylation	8838	CCCC(=O)OC.COC(=O)CCCc1cnccc1Cl>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het6
+C_C_decarboxylation	8838	CCCC(=O)OC.COC(=O)CCCc1cnccc1Cl>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het6
 C_C_decarboxylation	8839	CCCC(=O)OC.COC(=O)CCCc1nc2cocc2cc1Cl>>CCCc1cc2cocc2nc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het6Het5
 C_C_decarboxylation	8840	CCCC(=O)OC.COC(=O)CCCc1c(Cl)ncc2ccncc12>>CCCc1ncc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het6Het6
 C_C_decarboxylation	8841	CCCC(=O)OC.COC(=O)CCCc1c(Cl)ncc2ccccc12>>CCCc1ncc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Chloride_Het6Phe
-C_C_decarboxylation	8842	CCCC(=O)OC.COC(=O)CCCc1cocc1I>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het5
+C_C_decarboxylation	8842	CCCC(=O)OC.COC(=O)CCCc1cocc1I>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het5
 C_C_decarboxylation	8843	CCCC(=O)OC.COC(=O)CCCc1c(I)oc2cocc12>>CCCc1oc2cocc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het5Het5
 C_C_decarboxylation	8844	CCCC(=O)OC.COC(=O)CCCc1c(I)oc2ccncc12>>CCCc1oc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het5Het6
 C_C_decarboxylation	8845	CCCC(=O)OC.COC(=O)CCCc1c(I)oc2ccccc12>>CCCc1oc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het5Phe
-C_C_decarboxylation	8846	CCCC(=O)OC.COC(=O)CCCc1cnccc1I>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het6
+C_C_decarboxylation	8846	CCCC(=O)OC.COC(=O)CCCc1cnccc1I>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het6
 C_C_decarboxylation	8847	CCCC(=O)OC.COC(=O)CCCc1nc2cocc2cc1I>>CCCc1cc2cocc2nc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het6Het5
 C_C_decarboxylation	8848	CCCC(=O)OC.COC(=O)CCCc1c(I)ncc2ccncc12>>CCCc1ncc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het6Het6
 C_C_decarboxylation	8849	CCCC(=O)OC.COC(=O)CCCc1c(I)ncc2ccccc12>>CCCc1ncc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_Het6Phe
 C_C_decarboxylation	8850	CCCC(=O)OC.COC(=O)CCCc1cc2cocc2cc1I>>CCCc1cc2cocc2cc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_PheHet5
 C_C_decarboxylation	8851	CCCC(=O)OC.COC(=O)CCCCc1c(I)ccc2ccncc12>>CCCc1ccc2ccncc2c1CCCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Iodide_PheHet6
-C_C_decarboxylation	8852	CCCC(=O)OC.COC(=O)CCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het5
+C_C_decarboxylation	8852	CCCC(=O)OC.COC(=O)CCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCc1cocc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het5
 C_C_decarboxylation	8853	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>CCCc1oc2cocc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het5Het5
 C_C_decarboxylation	8854	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>CCCc1oc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het5Het6
 C_C_decarboxylation	8855	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>CCCc1oc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het5Phe
-C_C_decarboxylation	8856	CCCC(=O)OC.COC(=O)CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het6
+C_C_decarboxylation	8856	CCCC(=O)OC.COC(=O)CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCc1ccncc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het6
 C_C_decarboxylation	8857	CCCC(=O)OC.COC(=O)CCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCCc1cc2cocc2nc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het6Het5
 C_C_decarboxylation	8858	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>CCCc1ncc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het6Het6
 C_C_decarboxylation	8859	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12>>CCCc1ncc2ccccc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_Het6Phe
 C_C_decarboxylation	8860	CCCC(=O)OC.COC(=O)CCCc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCCc1cc2cocc2cc1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_PheHet5
 C_C_decarboxylation	8861	CCCC(=O)OC.COC(=O)CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12>>CCCc1ccc2ccncc2c1CCCC(=O)OC	[O;D2;!R;$(O([#6])[C;D3;!R;$(C([#6])(=O)O[#6])]);!$(OC(=O)C(C)(C)C):1]C(=O)[*;$(C(C=O)):2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*;$(*=*):2][a:4]	EsterAcyclic.X-Triflate_PheHet6
-C_C_decarboxylation	8862	CCCCC(=O)O.O=C(O)CCCCc1ccccc1Br>>CCCCc1ccccc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Phe
+C_C_decarboxylation	8862	CCCCC(=O)O.O=C(O)CCCCc1ccccc1Br>>CCCCc1ccccc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Phe
 C_C_decarboxylation	8863	CCCCC(=O)O.O=C(O)CCCCc1c(Br)ccc2ccccc12>>CCCCc1ccc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_PhePhe
-C_C_decarboxylation	8864	CCCCC(=O)O.O=C(O)CCCCc1ccccc1I>>CCCCc1ccccc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Phe
+C_C_decarboxylation	8864	CCCCC(=O)O.O=C(O)CCCCc1ccccc1I>>CCCCc1ccccc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Phe
 C_C_decarboxylation	8865	CCCCC(=O)O.O=C(O)CCCCc1c(I)ccc2ccccc12>>CCCCc1ccc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_PhePhe
-C_C_decarboxylation	8866	CCCCC(=O)O.O=C(O)CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCCc1cccc(CCCCC(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Phe
+C_C_decarboxylation	8866	CCCCC(=O)O.O=C(O)CCCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCCCc1cccc(CCCCC(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Phe
 C_C_decarboxylation	8867	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>CCCCc1ccc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_PhePhe
-C_C_decarboxylation	8868	CCCCC(=O)O.O=C(O)CCCCc1cocc1Br>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het5
+C_C_decarboxylation	8868	CCCCC(=O)O.O=C(O)CCCCc1cocc1Br>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het5
 C_C_decarboxylation	8869	CCCCC(=O)O.O=C(O)CCCCc1c(Br)oc2cocc12>>CCCCc1oc2cocc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het5Het5
 C_C_decarboxylation	8870	CCCCC(=O)O.O=C(O)CCCCc1c(Br)oc2ccncc12>>CCCCc1oc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het5Het6
 C_C_decarboxylation	8871	CCCCC(=O)O.O=C(O)CCCCc1c(Br)oc2ccccc12>>CCCCc1oc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het5Phe
-C_C_decarboxylation	8872	CCCCC(=O)O.O=C(O)CCCCc1cnccc1Br>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het6
+C_C_decarboxylation	8872	CCCCC(=O)O.O=C(O)CCCCc1cnccc1Br>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het6
 C_C_decarboxylation	8873	CCCCC(=O)O.O=C(O)CCCCc1nc2cocc2cc1Br>>CCCCc1cc2cocc2nc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het6Het5
 C_C_decarboxylation	8874	CCCCC(=O)O.O=C(O)CCCCc1c(Br)ncc2ccncc12>>CCCCc1ncc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het6Het6
 C_C_decarboxylation	8875	CCCCC(=O)O.O=C(O)CCCCc1c(Br)ncc2ccccc12>>CCCCc1ncc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_Het6Phe
 C_C_decarboxylation	8876	CCCCC(=O)O.O=C(O)CCCCc1cc2cocc2cc1Br>>CCCCc1cc2cocc2cc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_PheHet5
 C_C_decarboxylation	8877	CCCCC(=O)O.O=C(O)CCCCCc1c(Br)ccc2ccncc12>>CCCCc1ccc2ccncc2c1CCCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Bromide_PheHet6
-C_C_decarboxylation	8878	CCCCC(=O)O.O=C(O)CCCCc1cocc1Cl>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het5
+C_C_decarboxylation	8878	CCCCC(=O)O.O=C(O)CCCCc1cocc1Cl>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het5
 C_C_decarboxylation	8879	CCCCC(=O)O.O=C(O)CCCCc1c(Cl)oc2cocc12>>CCCCc1oc2cocc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het5Het5
 C_C_decarboxylation	8880	CCCCC(=O)O.O=C(O)CCCCc1c(Cl)oc2ccncc12>>CCCCc1oc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het5Het6
 C_C_decarboxylation	8881	CCCCC(=O)O.O=C(O)CCCCc1c(Cl)oc2ccccc12>>CCCCc1oc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het5Phe
-C_C_decarboxylation	8882	CCCCC(=O)O.O=C(O)CCCCc1cnccc1Cl>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het6
+C_C_decarboxylation	8882	CCCCC(=O)O.O=C(O)CCCCc1cnccc1Cl>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het6
 C_C_decarboxylation	8883	CCCCC(=O)O.O=C(O)CCCCc1nc2cocc2cc1Cl>>CCCCc1cc2cocc2nc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het6Het5
 C_C_decarboxylation	8884	CCCCC(=O)O.O=C(O)CCCCc1c(Cl)ncc2ccncc12>>CCCCc1ncc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het6Het6
 C_C_decarboxylation	8885	CCCCC(=O)O.O=C(O)CCCCc1c(Cl)ncc2ccccc12>>CCCCc1ncc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Chloride_Het6Phe
-C_C_decarboxylation	8886	CCCCC(=O)O.O=C(O)CCCCc1cocc1I>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het5
+C_C_decarboxylation	8886	CCCCC(=O)O.O=C(O)CCCCc1cocc1I>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het5
 C_C_decarboxylation	8887	CCCCC(=O)O.O=C(O)CCCCc1c(I)oc2cocc12>>CCCCc1oc2cocc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het5Het5
 C_C_decarboxylation	8888	CCCCC(=O)O.O=C(O)CCCCc1c(I)oc2ccncc12>>CCCCc1oc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het5Het6
 C_C_decarboxylation	8889	CCCCC(=O)O.O=C(O)CCCCc1c(I)oc2ccccc12>>CCCCc1oc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het5Phe
-C_C_decarboxylation	8890	CCCCC(=O)O.O=C(O)CCCCc1cnccc1I>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het6
+C_C_decarboxylation	8890	CCCCC(=O)O.O=C(O)CCCCc1cnccc1I>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het6
 C_C_decarboxylation	8891	CCCCC(=O)O.O=C(O)CCCCc1nc2cocc2cc1I>>CCCCc1cc2cocc2nc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het6Het5
 C_C_decarboxylation	8892	CCCCC(=O)O.O=C(O)CCCCc1c(I)ncc2ccncc12>>CCCCc1ncc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het6Het6
 C_C_decarboxylation	8893	CCCCC(=O)O.O=C(O)CCCCc1c(I)ncc2ccccc12>>CCCCc1ncc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_Het6Phe
 C_C_decarboxylation	8894	CCCCC(=O)O.O=C(O)CCCCc1cc2cocc2cc1I>>CCCCc1cc2cocc2cc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_PheHet5
 C_C_decarboxylation	8895	CCCCC(=O)O.O=C(O)CCCCCc1c(I)ccc2ccncc12>>CCCCc1ccc2ccncc2c1CCCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Iodide_PheHet6
-C_C_decarboxylation	8896	CCCCC(=O)O.O=C(O)CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het5
+C_C_decarboxylation	8896	CCCCC(=O)O.O=C(O)CCCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCCCc1cocc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het5
 C_C_decarboxylation	8897	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>CCCCc1oc2cocc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het5Het5
 C_C_decarboxylation	8898	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>CCCCc1oc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het5Het6
 C_C_decarboxylation	8899	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>CCCCc1oc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het5Phe
-C_C_decarboxylation	8900	CCCCC(=O)O.O=C(O)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het6
+C_C_decarboxylation	8900	CCCCC(=O)O.O=C(O)CCCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCCCc1ccncc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het6
 C_C_decarboxylation	8901	CCCCC(=O)O.O=C(O)CCCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCCCc1cc2cocc2nc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het6Het5
 C_C_decarboxylation	8902	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>CCCCc1ncc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het6Het6
 C_C_decarboxylation	8903	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12>>CCCCc1ncc2ccccc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_Het6Phe
 C_C_decarboxylation	8904	CCCCC(=O)O.O=C(O)CCCCc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCCCc1cc2cocc2cc1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_PheHet5
 C_C_decarboxylation	8905	CCCCC(=O)O.O=C(O)CCCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12>>CCCCc1ccc2ccncc2c1CCCCC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_SaturatedAliphatic.X-Triflate_PheHet6
-C_C_decarboxylation	8906	CCC=CC(=O)O.O=C(O)C=CCCc1ccccc1Br>>CCC=Cc1ccccc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Phe
+C_C_decarboxylation	8906	CCC=CC(=O)O.O=C(O)C=CCCc1ccccc1Br>>CCC=Cc1ccccc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Phe
 C_C_decarboxylation	8907	CCC=CC(=O)O.O=C(O)C=CCCc1c(Br)ccc2ccccc12>>CCC=Cc1ccc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_PhePhe
-C_C_decarboxylation	8908	CCC=CC(=O)O.O=C(O)C=CCCc1ccccc1I>>CCC=Cc1ccccc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Phe
+C_C_decarboxylation	8908	CCC=CC(=O)O.O=C(O)C=CCCc1ccccc1I>>CCC=Cc1ccccc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Phe
 C_C_decarboxylation	8909	CCC=CC(=O)O.O=C(O)C=CCCc1c(I)ccc2ccccc12>>CCC=Cc1ccc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_PhePhe
-C_C_decarboxylation	8910	CCC=CC(=O)O.O=C(O)C=CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCC=Cc1cccc(CCC=CC(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Phe
+C_C_decarboxylation	8910	CCC=CC(=O)O.O=C(O)C=CCCc1cccc(OS(=O)(=O)C(F)(F)F)c1>>CCC=Cc1cccc(CCC=CC(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Phe
 C_C_decarboxylation	8911	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>CCC=Cc1ccc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_PhePhe
-C_C_decarboxylation	8912	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1Br>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het5
+C_C_decarboxylation	8912	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1Br>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het5
 C_C_decarboxylation	8913	CCC=CC(=O)O.O=C(O)C=CCCc1c(Br)oc2cocc12>>CCC=Cc1oc2cocc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het5Het5
 C_C_decarboxylation	8914	CCC=CC(=O)O.O=C(O)C=CCCc1c(Br)oc2ccncc12>>CCC=Cc1oc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het5Het6
 C_C_decarboxylation	8915	CCC=CC(=O)O.O=C(O)C=CCCc1c(Br)oc2ccccc12>>CCC=Cc1oc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het5Phe
-C_C_decarboxylation	8916	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1Br>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het6
+C_C_decarboxylation	8916	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1Br>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het6
 C_C_decarboxylation	8917	CCC=CC(=O)O.O=C(O)C=CCCc1nc2cocc2cc1Br>>CCC=Cc1cc2cocc2nc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het6Het5
 C_C_decarboxylation	8918	CCC=CC(=O)O.O=C(O)C=CCCc1c(Br)ncc2ccncc12>>CCC=Cc1ncc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het6Het6
 C_C_decarboxylation	8919	CCC=CC(=O)O.O=C(O)C=CCCc1c(Br)ncc2ccccc12>>CCC=Cc1ncc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_Het6Phe
 C_C_decarboxylation	8920	CCC=CC(=O)O.O=C(O)C=CCCc1cc2cocc2cc1Br>>CCC=Cc1cc2cocc2cc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_PheHet5
 C_C_decarboxylation	8921	CCC=CC(=O)O.O=C(O)C=CCCCc1c(Br)ccc2ccncc12>>CCC=Cc1ccc2ccncc2c1CCCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Bromide_PheHet6
-C_C_decarboxylation	8922	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1Cl>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het5
+C_C_decarboxylation	8922	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1Cl>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het5
 C_C_decarboxylation	8923	CCC=CC(=O)O.O=C(O)C=CCCc1c(Cl)oc2cocc12>>CCC=Cc1oc2cocc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het5Het5
 C_C_decarboxylation	8924	CCC=CC(=O)O.O=C(O)C=CCCc1c(Cl)oc2ccncc12>>CCC=Cc1oc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het5Het6
 C_C_decarboxylation	8925	CCC=CC(=O)O.O=C(O)C=CCCc1c(Cl)oc2ccccc12>>CCC=Cc1oc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het5Phe
-C_C_decarboxylation	8926	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1Cl>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het6
+C_C_decarboxylation	8926	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1Cl>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het6
 C_C_decarboxylation	8927	CCC=CC(=O)O.O=C(O)C=CCCc1nc2cocc2cc1Cl>>CCC=Cc1cc2cocc2nc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het6Het5
 C_C_decarboxylation	8928	CCC=CC(=O)O.O=C(O)C=CCCc1c(Cl)ncc2ccncc12>>CCC=Cc1ncc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het6Het6
 C_C_decarboxylation	8929	CCC=CC(=O)O.O=C(O)C=CCCc1c(Cl)ncc2ccccc12>>CCC=Cc1ncc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Chloride_Het6Phe
-C_C_decarboxylation	8930	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1I>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het5
+C_C_decarboxylation	8930	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1I>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het5
 C_C_decarboxylation	8931	CCC=CC(=O)O.O=C(O)C=CCCc1c(I)oc2cocc12>>CCC=Cc1oc2cocc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het5Het5
 C_C_decarboxylation	8932	CCC=CC(=O)O.O=C(O)C=CCCc1c(I)oc2ccncc12>>CCC=Cc1oc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het5Het6
 C_C_decarboxylation	8933	CCC=CC(=O)O.O=C(O)C=CCCc1c(I)oc2ccccc12>>CCC=Cc1oc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het5Phe
-C_C_decarboxylation	8934	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1I>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het6
+C_C_decarboxylation	8934	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1I>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het6
 C_C_decarboxylation	8935	CCC=CC(=O)O.O=C(O)C=CCCc1nc2cocc2cc1I>>CCC=Cc1cc2cocc2nc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het6Het5
 C_C_decarboxylation	8936	CCC=CC(=O)O.O=C(O)C=CCCc1c(I)ncc2ccncc12>>CCC=Cc1ncc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het6Het6
 C_C_decarboxylation	8937	CCC=CC(=O)O.O=C(O)C=CCCc1c(I)ncc2ccccc12>>CCC=Cc1ncc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_Het6Phe
 C_C_decarboxylation	8938	CCC=CC(=O)O.O=C(O)C=CCCc1cc2cocc2cc1I>>CCC=Cc1cc2cocc2cc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_PheHet5
 C_C_decarboxylation	8939	CCC=CC(=O)O.O=C(O)C=CCCCc1c(I)ccc2ccncc12>>CCC=Cc1ccc2ccncc2c1CCCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Iodide_PheHet6
-C_C_decarboxylation	8940	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het5
+C_C_decarboxylation	8940	CCC=CC(=O)O.O=C(O)C=CCCc1cocc1OS(=O)(=O)C(F)(F)F>>CCC=Cc1cocc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het5
 C_C_decarboxylation	8941	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>CCC=Cc1oc2cocc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het5Het5
 C_C_decarboxylation	8942	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>CCC=Cc1oc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het5Het6
 C_C_decarboxylation	8943	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>CCC=Cc1oc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het5Phe
-C_C_decarboxylation	8944	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het6
+C_C_decarboxylation	8944	CCC=CC(=O)O.O=C(O)C=CCCc1cnccc1OS(=O)(=O)C(F)(F)F>>CCC=Cc1ccncc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het6
 C_C_decarboxylation	8945	CCC=CC(=O)O.O=C(O)C=CCCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCC=Cc1cc2cocc2nc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het6Het5
 C_C_decarboxylation	8946	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>CCC=Cc1ncc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het6Het6
 C_C_decarboxylation	8947	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12>>CCC=Cc1ncc2ccccc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_Het6Phe
 C_C_decarboxylation	8948	CCC=CC(=O)O.O=C(O)C=CCCc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F>>CCC=Cc1cc2cocc2cc1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_PheHet5
 C_C_decarboxylation	8949	CCC=CC(=O)O.O=C(O)C=CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12>>CCC=Cc1ccc2ccncc2c1CCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_UnsaturatedAliphatic.X-Triflate_PheHet6
-C_C_decarboxylation	8950	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1ccccc1Br>>Cc1ccccc1c1ccccc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Phe
+C_C_decarboxylation	8950	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1ccccc1Br>>Cc1ccccc1c1ccccc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Phe
 C_C_decarboxylation	8951	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Br)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_PhePhe
-C_C_decarboxylation	8952	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Phe
+C_C_decarboxylation	8952	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1ccccc1I>>Cc1ccccc1c1ccccc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Phe
 C_C_decarboxylation	8953	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(I)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_PhePhe
-C_C_decarboxylation	8954	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1ccccc1c1cccc(Cc2ccccc2C(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Phe
+C_C_decarboxylation	8954	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1ccccc1c1cccc(Cc2ccccc2C(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Phe
 C_C_decarboxylation	8955	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1ccccc1c1ccc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_PhePhe
-C_C_decarboxylation	8956	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het5
+C_C_decarboxylation	8956	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1Br>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het5
 C_C_decarboxylation	8957	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Br)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het5Het5
 C_C_decarboxylation	8958	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Br)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het5Het6
 C_C_decarboxylation	8959	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Br)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het5Phe
-C_C_decarboxylation	8960	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het6
+C_C_decarboxylation	8960	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1Br>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het6
 C_C_decarboxylation	8961	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1nc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het6Het5
 C_C_decarboxylation	8962	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Br)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het6Het6
 C_C_decarboxylation	8963	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Br)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_Het6Phe
 C_C_decarboxylation	8964	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cc2cocc2cc1Br>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_PheHet5
 C_C_decarboxylation	8965	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCc1c(Br)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Bromide_PheHet6
-C_C_decarboxylation	8966	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1Cl>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het5
+C_C_decarboxylation	8966	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1Cl>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het5
 C_C_decarboxylation	8967	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Cl)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het5Het5
 C_C_decarboxylation	8968	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Cl)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het5Het6
 C_C_decarboxylation	8969	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Cl)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het5Phe
-C_C_decarboxylation	8970	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1Cl>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het6
+C_C_decarboxylation	8970	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1Cl>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het6
 C_C_decarboxylation	8971	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1nc2cocc2cc1Cl>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het6Het5
 C_C_decarboxylation	8972	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Cl)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het6Het6
 C_C_decarboxylation	8973	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(Cl)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Chloride_Het6Phe
-C_C_decarboxylation	8974	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1I>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het5
+C_C_decarboxylation	8974	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1I>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het5
 C_C_decarboxylation	8975	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(I)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het5Het5
 C_C_decarboxylation	8976	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(I)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het5Het6
 C_C_decarboxylation	8977	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(I)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het5Phe
-C_C_decarboxylation	8978	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het6
+C_C_decarboxylation	8978	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1I>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het6
 C_C_decarboxylation	8979	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1nc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het6Het5
 C_C_decarboxylation	8980	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(I)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het6Het6
 C_C_decarboxylation	8981	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(I)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_Het6Phe
 C_C_decarboxylation	8982	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cc2cocc2cc1I>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_PheHet5
 C_C_decarboxylation	8983	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCc1c(I)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1CCc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Iodide_PheHet6
-C_C_decarboxylation	8984	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het5
+C_C_decarboxylation	8984	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1ccccc1c1cocc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het5
 C_C_decarboxylation	8985	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1ccccc1c1oc2cocc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het5Het5
 C_C_decarboxylation	8986	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>Cc1ccccc1c1oc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het5Het6
 C_C_decarboxylation	8987	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1ccccc1c1oc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het5Phe
-C_C_decarboxylation	8988	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het6
+C_C_decarboxylation	8988	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1ccccc1c1ccncc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het6
 C_C_decarboxylation	8989	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1ccccc1c1cc2cocc2nc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het6Het5
 C_C_decarboxylation	8990	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>Cc1ccccc1c1ncc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het6Het6
 C_C_decarboxylation	8991	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12>>Cc1ccccc1c1ncc2ccccc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_Het6Phe
 C_C_decarboxylation	8992	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1cc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1ccccc1c1cc2cocc2cc1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_PheHet5
 C_C_decarboxylation	8993	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccncc12>>Cc1ccccc1c1ccc2ccncc2c1Cc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_Aromatic.X-Triflate_PheHet6
-C_C_decarboxylation	8994	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1ccccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Phe
+C_C_decarboxylation	8994	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1ccccc1Br>>Cc1cnccc1c1ccccc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Phe
 C_C_decarboxylation	8995	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Br)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_PhePhe
-C_C_decarboxylation	8996	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1ccccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Phe
+C_C_decarboxylation	8996	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1ccccc1I>>Cc1cnccc1c1ccccc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Phe
 C_C_decarboxylation	8997	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(I)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_PhePhe
-C_C_decarboxylation	8998	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cnccc1c1cccc(Cc2cnccc2C(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Phe
+C_C_decarboxylation	8998	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1>>Cc1cnccc1c1cccc(Cc2cnccc2C(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Phe
 C_C_decarboxylation	8999	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12>>Cc1cnccc1c1ccc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_PhePhe
-C_C_decarboxylation	9000	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het5
+C_C_decarboxylation	9000	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1Br>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het5
 C_C_decarboxylation	9001	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Br)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het5Het5
 C_C_decarboxylation	9002	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Br)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het5Het6
 C_C_decarboxylation	9003	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Br)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het5Phe
-C_C_decarboxylation	9004	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het6
+C_C_decarboxylation	9004	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1Br>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het6
 C_C_decarboxylation	9005	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1nc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het6Het5
 C_C_decarboxylation	9006	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Br)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het6Het6
 C_C_decarboxylation	9007	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Br)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_Het6Phe
 C_C_decarboxylation	9008	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cc2cocc2cc1Br>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_PheHet5
 C_C_decarboxylation	9009	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCc1c(Br)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Bromide_PheHet6
-C_C_decarboxylation	9010	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1Cl>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het5
+C_C_decarboxylation	9010	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1Cl>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het5
 C_C_decarboxylation	9011	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Cl)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het5Het5
 C_C_decarboxylation	9012	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Cl)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het5Het6
 C_C_decarboxylation	9013	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Cl)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het5Phe
-C_C_decarboxylation	9014	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1Cl>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het6
+C_C_decarboxylation	9014	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1Cl>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het6
 C_C_decarboxylation	9015	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1nc2cocc2cc1Cl>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het6Het5
 C_C_decarboxylation	9016	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Cl)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het6Het6
 C_C_decarboxylation	9017	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(Cl)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Chloride_Het6Phe
-C_C_decarboxylation	9018	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het5
+C_C_decarboxylation	9018	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1I>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het5
 C_C_decarboxylation	9019	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(I)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het5Het5
 C_C_decarboxylation	9020	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(I)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het5Het6
 C_C_decarboxylation	9021	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(I)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het5Phe
-C_C_decarboxylation	9022	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het6
+C_C_decarboxylation	9022	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1I>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het6
 C_C_decarboxylation	9023	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1nc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het6Het5
 C_C_decarboxylation	9024	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(I)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het6Het6
 C_C_decarboxylation	9025	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(I)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_Het6Phe
 C_C_decarboxylation	9026	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cc2cocc2cc1I>>Cc1cnccc1c1cc2cocc2cc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_PheHet5
 C_C_decarboxylation	9027	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCc1c(I)ccc2ccncc12>>Cc1cnccc1c1ccc2ccncc2c1CCc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Iodide_PheHet6
-C_C_decarboxylation	9028	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het5
+C_C_decarboxylation	9028	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cocc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1c1cocc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het5
 C_C_decarboxylation	9029	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12>>Cc1cnccc1c1oc2cocc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het5Het5
 C_C_decarboxylation	9030	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12>>Cc1cnccc1c1oc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]);!$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het5Het6
 C_C_decarboxylation	9031	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12>>Cc1cnccc1c1oc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het5Phe
-C_C_decarboxylation	9032	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het6
+C_C_decarboxylation	9032	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1cnccc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1c1ccncc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het6
 C_C_decarboxylation	9033	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F>>Cc1cnccc1c1cc2cocc2nc1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het6Het5
 C_C_decarboxylation	9034	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccncc12>>Cc1cnccc1c1ncc2ccncc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][*:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het6Het6
 C_C_decarboxylation	9035	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1c(OS(=O)(=O)C(F)(F)F)ncc2ccccc12>>Cc1cnccc1c1ncc2ccccc2c1Cc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):3][a:4]>>[*:2][a:4]	Acid_Heteroaromatic.X-Triflate_Het6Phe
@@ -9408,13 +9408,13 @@ imidazole_condensation_acid	9406	CCCCC(=O)O.NC=CNCCCCCCC(=O)O>>CCCCc1nccn1CCCCCC
 imidazole_condensation_acid	9407	CCCCC(=O)O.Nc1ccccc1Nc1ccc(CCCCCC(=O)O)cc1>>CCCCc1nc2ccccc2n1c1ccc(CCCCCC(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_acid	9408	CCCCC(=O)O.O=C(O)CCCCCNCCNc1ccccc1>>CCCCc1n(CCCCCC(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_acid	9409	CCCCC(=O)O.O=C(O)CCCCCNC=CNc1ccccc1>>CCCCc1n(CCCCCC(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_acid	9410	CCCCC(=O)O.Nc1cccc(CCCCCC(=O)O)c1N>>CCCCc1nc2cccc(CCCCCC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_Primary_Phe
+imidazole_condensation_acid	9410	CCCCC(=O)O.Nc1cccc(CCCCCC(=O)O)c1N>>CCCCc1nc2cccc(CCCCCC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_Primary_Phe
 imidazole_condensation_acid	9411	CCCCC(=O)O.CC(CCCCC(=O)O)c1ccc(Nc2ccncc2N)cc1>>CCCCc1nc2cnccc2n1c1ccc(C(C)CCCCC(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_acid	9412	CCCCC(=O)O.Nc1cnccc1Nc1cncc(CCCCCC(=O)O)c1>>CCCCc1nc2cnccc2n1c1cncc(CCCCCC(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_acid	9413	CCCCC(=O)O.O=C(O)CCCCCNCCNc1ccncc1>>CCCCc1n(CCCCCC(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_acid	9414	CCCCC(=O)O.O=C(O)CCCCCNC=CNc1ccncc1>>CCCCc1n(CCCCCC(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_acid	9415	CCCCC(=O)O.Nc1occ(CCCCCC(=O)O)c1N>>CCCCc1nc2occ(CCCCCC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_Primary_Het5
-imidazole_condensation_acid	9416	CCCCC(=O)O.Nc1nccc(CCCCCC(=O)O)c1N>>CCCCc1nc2nccc(CCCCCC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_Primary_Het6
+imidazole_condensation_acid	9415	CCCCC(=O)O.Nc1occ(CCCCCC(=O)O)c1N>>CCCCc1nc2occ(CCCCCC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_Primary_Het5
+imidazole_condensation_acid	9416	CCCCC(=O)O.Nc1nccc(CCCCCC(=O)O)c1N>>CCCCc1nc2nccc(CCCCCC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([!$(**[C]=[C]);!$(**[C]#[C]);!$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_SaturatedAliphatic.Amine_Primary_Het6
 imidazole_condensation_acid	9417	CCC=CC(=O)O.NCCNCCCCCC=CC(=O)O>>CCC=Cc1nccn1CCCCCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 imidazole_condensation_acid	9418	CCC=CC(=O)O.CNC=CNCCCCCC=CC(=O)O>>CCC=Cc1n(C)ccn1CCCCCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 imidazole_condensation_acid	9419	CCC=CC(=O)O.CNC=CNC=CCCCC=CC(=O)O>>CCC=Cc1n(C)ccn1C=CCCCC=CC(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -9423,13 +9423,13 @@ imidazole_condensation_acid	9421	CCC=CC(=O)O.NC=CNCCCCC=CC(=O)O>>CCC=Cc1nccn1CCC
 imidazole_condensation_acid	9422	CCC=CC(=O)O.Nc1ccccc1Nc1ccc(CCCC=CC(=O)O)cc1>>CCC=Cc1nc2ccccc2n1c1ccc(CCCC=CC(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_acid	9423	CCC=CC(=O)O.O=C(O)C=CCCCNCCNc1ccccc1>>CCC=Cc1n(CCCC=CC(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_acid	9424	CCC=CC(=O)O.O=C(O)C=CCCCNC=CNc1ccccc1>>CCC=Cc1n(CCCC=CC(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_acid	9425	CCC=CC(=O)O.Nc1cccc(CCCC=CC(=O)O)c1N>>CCC=Cc1nc2cccc(CCCC=CC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_Primary_Phe
+imidazole_condensation_acid	9425	CCC=CC(=O)O.Nc1cccc(CCCC=CC(=O)O)c1N>>CCC=Cc1nc2cccc(CCCC=CC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_Primary_Phe
 imidazole_condensation_acid	9426	CCC=CC(=O)O.CC(CCC=CC(=O)O)c1ccc(Nc2ccncc2N)cc1>>CCC=Cc1nc2cnccc2n1c1ccc(C(C)CCC=CC(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_acid	9427	CCC=CC(=O)O.Nc1cnccc1Nc1cncc(CCCC=CC(=O)O)c1>>CCC=Cc1nc2cnccc2n1c1cncc(CCCC=CC(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_acid	9428	CCC=CC(=O)O.O=C(O)C=CCCCNCCNc1ccncc1>>CCC=Cc1n(CCCC=CC(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_acid	9429	CCC=CC(=O)O.O=C(O)C=CCCCNC=CNc1ccncc1>>CCC=Cc1n(CCCC=CC(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_acid	9430	CCC=CC(=O)O.Nc1occ(CCCC=CC(=O)O)c1N>>CCC=Cc1nc2occ(CCCC=CC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_Primary_Het5
-imidazole_condensation_acid	9431	CCC=CC(=O)O.Nc1nccc(CCCC=CC(=O)O)c1N>>CCC=Cc1nc2nccc(CCCC=CC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_Primary_Het6
+imidazole_condensation_acid	9430	CCC=CC(=O)O.Nc1occ(CCCC=CC(=O)O)c1N>>CCC=Cc1nc2occ(CCCC=CC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_Primary_Het5
+imidazole_condensation_acid	9431	CCC=CC(=O)O.Nc1nccc(CCCC=CC(=O)O)c1N>>CCC=Cc1nc2nccc(CCCC=CC(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[C]=[C]),$(**[C]#[C]),$(**[C]#[N]);!$(**a)]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_UnsaturatedAliphatic.Amine_Primary_Het6
 imidazole_condensation_acid	9432	Cc1ccccc1C(=O)O.NCCNCCCCc1ccccc1C(=O)O>>Cc1ccccc1c1nccn1CCCCc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 imidazole_condensation_acid	9433	Cc1ccccc1C(=O)O.CNC=CNCCCCc1ccccc1C(=O)O>>Cc1ccccc1c1n(C)ccn1CCCCc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 imidazole_condensation_acid	9434	Cc1ccccc1C(=O)O.CNC=CNC=CCCc1ccccc1C(=O)O>>Cc1ccccc1c1n(C)ccn1C=CCCc1ccccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -9438,13 +9438,13 @@ imidazole_condensation_acid	9436	Cc1ccccc1C(=O)O.NC=CNCCCc1ccccc1C(=O)O>>Cc1cccc
 imidazole_condensation_acid	9437	Cc1ccccc1C(=O)O.Nc1ccccc1Nc1ccc(CCc2ccccc2C(=O)O)cc1>>Cc1ccccc1c1nc2ccccc2n1c1ccc(CCc2ccccc2C(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_acid	9438	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCNCCNc1ccccc1>>Cc1ccccc1c1n(CCc2ccccc2C(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_acid	9439	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCNC=CNc1ccccc1>>Cc1ccccc1c1n(CCc2ccccc2C(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_acid	9440	Cc1ccccc1C(=O)O.Nc1cccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1c1nc2cccc(CCc3ccccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_Primary_Phe
+imidazole_condensation_acid	9440	Cc1ccccc1C(=O)O.Nc1cccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1c1nc2cccc(CCc3ccccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_Primary_Phe
 imidazole_condensation_acid	9441	Cc1ccccc1C(=O)O.CC(Cc1ccccc1C(=O)O)c1ccc(Nc2ccncc2N)cc1>>Cc1ccccc1c1nc2cnccc2n1c1ccc(C(C)Cc2ccccc2C(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_acid	9442	Cc1ccccc1C(=O)O.Nc1cnccc1Nc1cncc(CCc2ccccc2C(=O)O)c1>>Cc1ccccc1c1nc2cnccc2n1c1cncc(CCc2ccccc2C(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_acid	9443	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCNCCNc1ccncc1>>Cc1ccccc1c1n(CCc2ccccc2C(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_acid	9444	Cc1ccccc1C(=O)O.O=C(O)c1ccccc1CCNC=CNc1ccncc1>>Cc1ccccc1c1n(CCc2ccccc2C(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_acid	9445	Cc1ccccc1C(=O)O.Nc1occ(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1c1nc2occ(CCc3ccccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_Primary_Het5
-imidazole_condensation_acid	9446	Cc1ccccc1C(=O)O.Nc1nccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1c1nc2nccc(CCc3ccccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_Primary_Het6
+imidazole_condensation_acid	9445	Cc1ccccc1C(=O)O.Nc1occ(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1c1nc2occ(CCc3ccccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_Primary_Het5
+imidazole_condensation_acid	9446	Cc1ccccc1C(=O)O.Nc1nccc(CCc2ccccc2C(=O)O)c1N>>Cc1ccccc1c1nc2nccc(CCc3ccccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[c;$(c1ccccc1)]),$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Aromatic.Amine_Primary_Het6
 imidazole_condensation_acid	9447	Cc1cnccc1C(=O)O.NCCNCCCCc1cnccc1C(=O)O>>Cc1cnccc1c1nccn1CCCCc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[!$(C=C);!$(C#C);!$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-SaturatedAliphatic
 imidazole_condensation_acid	9448	Cc1cnccc1C(=O)O.CNC=CNCCCCc1cnccc1C(=O)O>>Cc1cnccc1c1n(C)ccn1CCCCc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-UnsaturatedAliphatic
 imidazole_condensation_acid	9449	Cc1cnccc1C(=O)O.CNC=CNC=CCCc1cnccc1C(=O)O>>Cc1cnccc1c1n(C)ccn1C=CCCc1cnccc1C(=O)O	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$(C=C),$(C#C),$(C#N);!$(a)]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-UnsaturatedAliphatic
@@ -9453,35 +9453,35 @@ imidazole_condensation_acid	9451	Cc1cnccc1C(=O)O.NC=CNCCCc1cnccc1C(=O)O>>Cc1cncc
 imidazole_condensation_acid	9452	Cc1cnccc1C(=O)O.Nc1ccccc1Nc1ccc(CCc2cnccc2C(=O)O)cc1>>Cc1cnccc1c1nc2ccccc2n1c1ccc(CCc2cnccc2C(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Aromatic
 imidazole_condensation_acid	9453	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCNCCNc1ccccc1>>Cc1cnccc1c1n(CCc2cnccc2C(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Aromatic
 imidazole_condensation_acid	9454	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCNC=CNc1ccccc1>>Cc1cnccc1c1n(CCc2cnccc2C(=O)O)ccn1c1ccccc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Aromatic
-imidazole_condensation_acid	9455	Cc1cnccc1C(=O)O.Nc1cccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1c1nc2cccc(CCc3cnccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_Primary_Phe
+imidazole_condensation_acid	9455	Cc1cnccc1C(=O)O.Nc1cccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1c1nc2cccc(CCc3cnccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_Primary_Phe
 imidazole_condensation_acid	9456	Cc1cnccc1C(=O)O.CC(Cc1cnccc1C(=O)O)c1ccc(Nc2ccncc2N)cc1>>Cc1cnccc1c1nc2cnccc2n1c1ccc(C(C)Cc2cnccc2C(=O)O)cc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([c;$(c1ccccc1)]),$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_Aromatic-Heteroaromatic
 imidazole_condensation_acid	9457	Cc1cnccc1C(=O)O.Nc1cnccc1Nc1cncc(CCc2cnccc2C(=O)O)c1>>Cc1cnccc1c1nc2cnccc2n1c1cncc(CCc2cnccc2C(=O)O)c1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_Heteroaromatic-Heteroaromatic
 imidazole_condensation_acid	9458	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCNCCNc1ccncc1>>Cc1cnccc1c1n(CCc2cnccc2C(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([!$(C=C);!$(C#C);!$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_SaturatedAliphatic-Heteroaromatic
 imidazole_condensation_acid	9459	Cc1cnccc1C(=O)O.O=C(O)c1ccncc1CCNC=CNc1ccncc1>>Cc1cnccc1c1n(CCc2cnccc2C(=O)O)ccn1c1ccncc1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2;$([N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);!R;D2]([$(C=C),$(C#C),$(C#N);!$(a)])[$([a;$(a1aaaaa1)]),$([a;$(a1aaaa1)]);!$([c;$(c1ccccc1)]);!$([c;$(c1cccc1)])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3]([#6:7])[#6:4]~[#6:5]~[N:6]>>[*:2]c1:n([*:7]):[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_AcyclicSecondary_UnsaturatedAliphatic-Heteroaromatic
-imidazole_condensation_acid	9460	Cc1cnccc1C(=O)O.Nc1occ(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1c1nc2occ(CCc3cnccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_Primary_Het5
-imidazole_condensation_acid	9461	Cc1cnccc1C(=O)O.Nc1nccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1c1nc2nccc(CCc3cnccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_Primary_Het6
+imidazole_condensation_acid	9460	Cc1cnccc1C(=O)O.Nc1occ(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1c1nc2occ(CCc3cnccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_Primary_Het5
+imidazole_condensation_acid	9461	Cc1cnccc1C(=O)O.Nc1nccc(CCc2cnccc2C(=O)O)c1N>>Cc1cnccc1c1nc2nccc(CCc3cnccc3C(=O)O)c2n1	[O;D1;$(O[C;D2,D3;$(C(=O));!$(C(O)(=O)[!#6])]);$([$(**[a;$(a1aaaaa1)]),$(**[a;$(a1aaaa1)]);!$(**[c;$(c1ccccc1)]);!$(**[c;$(c1cccc1)])]):1]C(=O)[*:2].[N;X3;!+;!-;!$(N=*);$([N;!$(N~[*;!#6])]);!$(N[*]=[*;O,S,P,N]);D1;$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]);$(N[#6]~[#6][N;!R;D1,D2;!$(NC=[*;!#6]);!$(NC#*);!$(N#,=*)]):3][#6:4]~[#6:5]~[N:6]>>[*:2]c1:n:[c:4]:[c:5]:[n:6]:1	Acid_Heteroaromatic.Amine_Primary_Het6
 pinacolatoborylation	9462	CCOB(OCC)B(OCC)OC(C)C.C=CCCCC(C)OB(OCC)B(OCC)OCC>>CCOB(OCC)B(OCC)OC(C)CCCCBC(OCC)OC(C)C	[B;$(B([O;D2][A])([O;D2][A])B([O;D2][A])[O;D2][A]):1][B:2].[C;D1;$(C=[c,C][*;!$(*=C)]):3]=[#6:4]>>[#6:2]B[#6:4]	AliphaticDiboronate.AlkeneTerminal
-ullmann_phenol	9463	Cc1ccccc1Br.Oc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.Phenol
-ullmann_phenol	9464	Cc1ccccc1Br.Oc1occc1CCc1ccccc1Br>>Cc1ccccc1Oc1occc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic5membered
-ullmann_phenol	9465	Cc1ccccc1Br.Oc1ncccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ncccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic6membered
+ullmann_phenol	9463	Cc1ccccc1Br.Oc1ccccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ccccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.Phenol
+ullmann_phenol	9464	Cc1ccccc1Br.Oc1occc1CCc1ccccc1Br>>Cc1ccccc1Oc1occc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic5membered
+ullmann_phenol	9465	Cc1ccccc1Br.Oc1ncccc1CCc1ccccc1Br>>Cc1ccccc1Oc1ncccc1CCc1ccccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Phe.PhenolHeteroaromatic6membered
 ullmann_phenol	9466	Cc1c(Br)ccc2ccccc12.Oc1ccccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.Phenol
 ullmann_phenol	9467	Cc1c(Br)ccc2ccccc12.Oc1occc1CCc1c(Br)ccc2ccccc12>>Cc1c(Oc2occc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.PhenolHeteroaromatic5membered
 ullmann_phenol	9468	Cc1c(Br)ccc2ccccc12.Oc1ncccc1CCc1c(Br)ccc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(Br)ccc3ccccc23)ccc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PhePhe.PhenolHeteroaromatic6membered
-ullmann_phenol	9469	Cc1ccccc1I.Oc1ccccc1CCc1ccccc1I>>Cc1ccccc1Oc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.Phenol
-ullmann_phenol	9470	Cc1ccccc1I.Oc1occc1CCc1ccccc1I>>Cc1ccccc1Oc1occc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic5membered
-ullmann_phenol	9471	Cc1ccccc1I.Oc1ncccc1CCc1ccccc1I>>Cc1ccccc1Oc1ncccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic6membered
+ullmann_phenol	9469	Cc1ccccc1I.Oc1ccccc1CCc1ccccc1I>>Cc1ccccc1Oc1ccccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.Phenol
+ullmann_phenol	9470	Cc1ccccc1I.Oc1occc1CCc1ccccc1I>>Cc1ccccc1Oc1occc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic5membered
+ullmann_phenol	9471	Cc1ccccc1I.Oc1ncccc1CCc1ccccc1I>>Cc1ccccc1Oc1ncccc1CCc1ccccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Phe.PhenolHeteroaromatic6membered
 ullmann_phenol	9472	Cc1c(I)ccc2ccccc12.Oc1ccccc1CCc1c(I)ccc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.Phenol
 ullmann_phenol	9473	Cc1c(I)ccc2ccccc12.Oc1occc1CCc1c(I)ccc2ccccc12>>Cc1c(Oc2occc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.PhenolHeteroaromatic5membered
 ullmann_phenol	9474	Cc1c(I)ccc2ccccc12.Oc1ncccc1CCc1c(I)ccc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(I)ccc3ccccc23)ccc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PhePhe.PhenolHeteroaromatic6membered
-ullmann_phenol	9475	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.Phenol
-ullmann_phenol	9476	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccoc2O)c1)C(F)(F)F>>Cc1cccc(Oc2occc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic5membered
-ullmann_phenol	9477	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cccnc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ncccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])][c;!$([a3])]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic6membered
+ullmann_phenol	9475	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccccc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ccccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.Phenol
+ullmann_phenol	9476	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2ccoc2O)c1)C(F)(F)F>>Cc1cccc(Oc2occc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic5membered
+ullmann_phenol	9477	Cc1cccc(OS(=O)(=O)C(F)(F)F)c1.O=S(=O)(Oc1cccc(CCc2cccnc2O)c1)C(F)(F)F>>Cc1cccc(Oc2ncccc2CCc2cccc(OS(=O)(=O)C(F)(F)F)c2)c1	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[c;$(c1ccccc1)]);$(*[c;$(c1[c][c][c][c][c]1)]);!$([$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Phe.PhenolHeteroaromatic6membered
 ullmann_phenol	9478	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccccc1O)C(F)(F)F>>Cc1c(Oc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.Phenol
 ullmann_phenol	9479	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1ccoc1O)C(F)(F)F>>Cc1c(Oc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.PhenolHeteroaromatic5membered
 ullmann_phenol	9480	Cc1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.O=S(=O)(Oc1ccc2ccccc2c1CCc1cccnc1O)C(F)(F)F>>Cc1c(Oc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_PhePhe.PhenolHeteroaromatic6membered
-ullmann_phenol	9481	Cc1cocc1Br.Oc1ccccc1CCc1cocc1Br>>Cc1cocc1Oc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.Phenol
-ullmann_phenol	9482	Cc1cocc1Br.Oc1occc1CCc1cocc1Br>>Cc1cocc1Oc1occc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic5membered
-ullmann_phenol	9483	Cc1cocc1Br.Oc1ncccc1CCc1cocc1Br>>Cc1cocc1Oc1ncccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic6membered
+ullmann_phenol	9481	Cc1cocc1Br.Oc1ccccc1CCc1cocc1Br>>Cc1cocc1Oc1ccccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.Phenol
+ullmann_phenol	9482	Cc1cocc1Br.Oc1occc1CCc1cocc1Br>>Cc1cocc1Oc1occc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic5membered
+ullmann_phenol	9483	Cc1cocc1Br.Oc1ncccc1CCc1cocc1Br>>Cc1cocc1Oc1ncccc1CCc1cocc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5.PhenolHeteroaromatic6membered
 ullmann_phenol	9484	Cc1c(Br)oc2cocc12.Oc1ccccc1CCc1c(Br)oc2cocc12>>Cc1c(Oc2ccccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Het5.Phenol
 ullmann_phenol	9485	Cc1c(Br)oc2cocc12.Oc1occc1CCc1c(Br)oc2cocc12>>Cc1c(Oc2occc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9486	Cc1c(Br)oc2cocc12.Oc1ncccc1CCc1c(Br)oc2cocc12>>Cc1c(Oc2ncccc2CCc2c(Br)oc3cocc23)oc2cocc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Het5.PhenolHeteroaromatic6membered
@@ -9491,9 +9491,9 @@ ullmann_phenol	9489	Cc1c(Br)oc2ccncc12.Oc1ncccc1CCc1c(Br)oc2ccncc12>>Cc1c(Oc2ncc
 ullmann_phenol	9490	Cc1c(Br)oc2ccccc12.Oc1ccccc1CCc1c(Br)oc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Phe.Phenol
 ullmann_phenol	9491	Cc1c(Br)oc2ccccc12.Oc1occc1CCc1c(Br)oc2ccccc12>>Cc1c(Oc2occc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Phe.PhenolHeteroaromatic5membered
 ullmann_phenol	9492	Cc1c(Br)oc2ccccc12.Oc1ncccc1CCc1c(Br)oc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(Br)oc3ccccc23)oc2ccccc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het5Phe.PhenolHeteroaromatic6membered
-ullmann_phenol	9493	Cc1cnccc1Br.Oc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.Phenol
-ullmann_phenol	9494	Cc1cnccc1Br.Oc1occc1CCc1cnccc1Br>>Cc1cnccc1Oc1occc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic5membered
-ullmann_phenol	9495	Cc1cnccc1Br.Oc1ncccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ncccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic6membered
+ullmann_phenol	9493	Cc1cnccc1Br.Oc1ccccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ccccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.Phenol
+ullmann_phenol	9494	Cc1cnccc1Br.Oc1occc1CCc1cnccc1Br>>Cc1cnccc1Oc1occc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic5membered
+ullmann_phenol	9495	Cc1cnccc1Br.Oc1ncccc1CCc1cnccc1Br>>Cc1cnccc1Oc1ncccc1CCc1cnccc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6.PhenolHeteroaromatic6membered
 ullmann_phenol	9496	Cc1nc2cocc2cc1Br.Oc1ccccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1Oc1ccccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6Het5.Phenol
 ullmann_phenol	9497	Cc1nc2cocc2cc1Br.Oc1occc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1Oc1occc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9498	Cc1nc2cocc2cc1Br.Oc1ncccc1CCc1nc2cocc2cc1Br>>Cc1nc2cocc2cc1Oc1ncccc1CCc1nc2cocc2cc1Br	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_Het6Het5.PhenolHeteroaromatic6membered
@@ -9509,9 +9509,9 @@ ullmann_phenol	9507	Cc1cc2cocc2cc1Br.Oc1ncccc1CCc1cc2cocc2cc1Br>>Cc1cc2cocc2cc1O
 ullmann_phenol	9508	CCc1c(Br)ccc2ccncc12.Oc1ccccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Oc2ccccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PheHet6.Phenol
 ullmann_phenol	9509	CCc1c(Br)ccc2ccncc12.Oc1occc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Oc2occc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PheHet6.PhenolHeteroaromatic5membered
 ullmann_phenol	9510	CCc1c(Br)ccc2ccncc12.Oc1ncccc1CCCc1c(Br)ccc2ccncc12>>CCc1c(Oc2ncccc2CCCc2c(Br)ccc3ccncc23)ccc2ccncc12	[Br;$([Br][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Bromide_PheHet6.PhenolHeteroaromatic6membered
-ullmann_phenol	9511	Cc1cocc1Cl.Oc1ccccc1CCc1cocc1Cl>>Cc1cocc1Oc1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5.Phenol
-ullmann_phenol	9512	Cc1cocc1Cl.Oc1occc1CCc1cocc1Cl>>Cc1cocc1Oc1occc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5.PhenolHeteroaromatic5membered
-ullmann_phenol	9513	Cc1cocc1Cl.Oc1ncccc1CCc1cocc1Cl>>Cc1cocc1Oc1ncccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5.PhenolHeteroaromatic6membered
+ullmann_phenol	9511	Cc1cocc1Cl.Oc1ccccc1CCc1cocc1Cl>>Cc1cocc1Oc1ccccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5.Phenol
+ullmann_phenol	9512	Cc1cocc1Cl.Oc1occc1CCc1cocc1Cl>>Cc1cocc1Oc1occc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5.PhenolHeteroaromatic5membered
+ullmann_phenol	9513	Cc1cocc1Cl.Oc1ncccc1CCc1cocc1Cl>>Cc1cocc1Oc1ncccc1CCc1cocc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5.PhenolHeteroaromatic6membered
 ullmann_phenol	9514	Cc1c(Cl)oc2cocc12.Oc1ccccc1CCc1c(Cl)oc2cocc12>>Cc1c(Oc2ccccc2CCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5Het5.Phenol
 ullmann_phenol	9515	Cc1c(Cl)oc2cocc12.Oc1occc1CCc1c(Cl)oc2cocc12>>Cc1c(Oc2occc2CCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9516	Cc1c(Cl)oc2cocc12.Oc1ncccc1CCc1c(Cl)oc2cocc12>>Cc1c(Oc2ncccc2CCc2c(Cl)oc3cocc23)oc2cocc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5Het5.PhenolHeteroaromatic6membered
@@ -9521,9 +9521,9 @@ ullmann_phenol	9519	Cc1c(Cl)oc2ccncc12.Oc1ncccc1CCc1c(Cl)oc2ccncc12>>Cc1c(Oc2ncc
 ullmann_phenol	9520	Cc1c(Cl)oc2ccccc12.Oc1ccccc1CCc1c(Cl)oc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5Phe.Phenol
 ullmann_phenol	9521	Cc1c(Cl)oc2ccccc12.Oc1occc1CCc1c(Cl)oc2ccccc12>>Cc1c(Oc2occc2CCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5Phe.PhenolHeteroaromatic5membered
 ullmann_phenol	9522	Cc1c(Cl)oc2ccccc12.Oc1ncccc1CCc1c(Cl)oc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(Cl)oc3ccccc23)oc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het5Phe.PhenolHeteroaromatic6membered
-ullmann_phenol	9523	Cc1cnccc1Cl.Oc1ccccc1CCc1cnccc1Cl>>Cc1cnccc1Oc1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6.Phenol
-ullmann_phenol	9524	Cc1cnccc1Cl.Oc1occc1CCc1cnccc1Cl>>Cc1cnccc1Oc1occc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6.PhenolHeteroaromatic5membered
-ullmann_phenol	9525	Cc1cnccc1Cl.Oc1ncccc1CCc1cnccc1Cl>>Cc1cnccc1Oc1ncccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6.PhenolHeteroaromatic6membered
+ullmann_phenol	9523	Cc1cnccc1Cl.Oc1ccccc1CCc1cnccc1Cl>>Cc1cnccc1Oc1ccccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6.Phenol
+ullmann_phenol	9524	Cc1cnccc1Cl.Oc1occc1CCc1cnccc1Cl>>Cc1cnccc1Oc1occc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6.PhenolHeteroaromatic5membered
+ullmann_phenol	9525	Cc1cnccc1Cl.Oc1ncccc1CCc1cnccc1Cl>>Cc1cnccc1Oc1ncccc1CCc1cnccc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6.PhenolHeteroaromatic6membered
 ullmann_phenol	9526	Cc1nc2cocc2cc1Cl.Oc1ccccc1CCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1Oc1ccccc1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6Het5.Phenol
 ullmann_phenol	9527	Cc1nc2cocc2cc1Cl.Oc1occc1CCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1Oc1occc1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9528	Cc1nc2cocc2cc1Cl.Oc1ncccc1CCc1nc2cocc2cc1Cl>>Cc1nc2cocc2cc1Oc1ncccc1CCc1nc2cocc2cc1Cl	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6Het5.PhenolHeteroaromatic6membered
@@ -9533,9 +9533,9 @@ ullmann_phenol	9531	Cc1c(Cl)ncc2ccncc12.Oc1ncccc1CCc1c(Cl)ncc2ccncc12>>Cc1c(Oc2n
 ullmann_phenol	9532	Cc1c(Cl)ncc2ccccc12.Oc1ccccc1CCc1c(Cl)ncc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6Phe.Phenol
 ullmann_phenol	9533	Cc1c(Cl)ncc2ccccc12.Oc1occc1CCc1c(Cl)ncc2ccccc12>>Cc1c(Oc2occc2CCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6Phe.PhenolHeteroaromatic5membered
 ullmann_phenol	9534	Cc1c(Cl)ncc2ccccc12.Oc1ncccc1CCc1c(Cl)ncc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(Cl)ncc3ccccc23)ncc2ccccc12	[Cl;$([Cl][*;$([#6]);!$(*=*)]);$([$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Chloride_Het6Phe.PhenolHeteroaromatic6membered
-ullmann_phenol	9535	Cc1cocc1I.Oc1ccccc1CCc1cocc1I>>Cc1cocc1Oc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.Phenol
-ullmann_phenol	9536	Cc1cocc1I.Oc1occc1CCc1cocc1I>>Cc1cocc1Oc1occc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic5membered
-ullmann_phenol	9537	Cc1cocc1I.Oc1ncccc1CCc1cocc1I>>Cc1cocc1Oc1ncccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic6membered
+ullmann_phenol	9535	Cc1cocc1I.Oc1ccccc1CCc1cocc1I>>Cc1cocc1Oc1ccccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.Phenol
+ullmann_phenol	9536	Cc1cocc1I.Oc1occc1CCc1cocc1I>>Cc1cocc1Oc1occc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic5membered
+ullmann_phenol	9537	Cc1cocc1I.Oc1ncccc1CCc1cocc1I>>Cc1cocc1Oc1ncccc1CCc1cocc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5.PhenolHeteroaromatic6membered
 ullmann_phenol	9538	Cc1c(I)oc2cocc12.Oc1ccccc1CCc1c(I)oc2cocc12>>Cc1c(Oc2ccccc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Het5.Phenol
 ullmann_phenol	9539	Cc1c(I)oc2cocc12.Oc1occc1CCc1c(I)oc2cocc12>>Cc1c(Oc2occc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9540	Cc1c(I)oc2cocc12.Oc1ncccc1CCc1c(I)oc2cocc12>>Cc1c(Oc2ncccc2CCc2c(I)oc3cocc23)oc2cocc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Het5.PhenolHeteroaromatic6membered
@@ -9545,9 +9545,9 @@ ullmann_phenol	9543	Cc1c(I)oc2ccncc12.Oc1ncccc1CCc1c(I)oc2ccncc12>>Cc1c(Oc2ncccc
 ullmann_phenol	9544	Cc1c(I)oc2ccccc12.Oc1ccccc1CCc1c(I)oc2ccccc12>>Cc1c(Oc2ccccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Phe.Phenol
 ullmann_phenol	9545	Cc1c(I)oc2ccccc12.Oc1occc1CCc1c(I)oc2ccccc12>>Cc1c(Oc2occc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Phe.PhenolHeteroaromatic5membered
 ullmann_phenol	9546	Cc1c(I)oc2ccccc12.Oc1ncccc1CCc1c(I)oc2ccccc12>>Cc1c(Oc2ncccc2CCc2c(I)oc3ccccc23)oc2ccccc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het5Phe.PhenolHeteroaromatic6membered
-ullmann_phenol	9547	Cc1cnccc1I.Oc1ccccc1CCc1cnccc1I>>Cc1cnccc1Oc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.Phenol
-ullmann_phenol	9548	Cc1cnccc1I.Oc1occc1CCc1cnccc1I>>Cc1cnccc1Oc1occc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic5membered
-ullmann_phenol	9549	Cc1cnccc1I.Oc1ncccc1CCc1cnccc1I>>Cc1cnccc1Oc1ncccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic6membered
+ullmann_phenol	9547	Cc1cnccc1I.Oc1ccccc1CCc1cnccc1I>>Cc1cnccc1Oc1ccccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.Phenol
+ullmann_phenol	9548	Cc1cnccc1I.Oc1occc1CCc1cnccc1I>>Cc1cnccc1Oc1occc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic5membered
+ullmann_phenol	9549	Cc1cnccc1I.Oc1ncccc1CCc1cnccc1I>>Cc1cnccc1Oc1ncccc1CCc1cnccc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6.PhenolHeteroaromatic6membered
 ullmann_phenol	9550	Cc1nc2cocc2cc1I.Oc1ccccc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1Oc1ccccc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6Het5.Phenol
 ullmann_phenol	9551	Cc1nc2cocc2cc1I.Oc1occc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1Oc1occc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9552	Cc1nc2cocc2cc1I.Oc1ncccc1CCc1nc2cocc2cc1I>>Cc1nc2cocc2cc1Oc1ncccc1CCc1nc2cocc2cc1I	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_Het6Het5.PhenolHeteroaromatic6membered
@@ -9563,9 +9563,9 @@ ullmann_phenol	9561	Cc1cc2cocc2cc1I.Oc1ncccc1CCc1cc2cocc2cc1I>>Cc1cc2cocc2cc1Oc1
 ullmann_phenol	9562	CCc1c(I)ccc2ccncc12.Oc1ccccc1CCCc1c(I)ccc2ccncc12>>CCc1c(Oc2ccccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PheHet6.Phenol
 ullmann_phenol	9563	CCc1c(I)ccc2ccncc12.Oc1occc1CCCc1c(I)ccc2ccncc12>>CCc1c(Oc2occc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PheHet6.PhenolHeteroaromatic5membered
 ullmann_phenol	9564	CCc1c(I)ccc2ccncc12.Oc1ncccc1CCCc1c(I)ccc2ccncc12>>CCc1c(Oc2ncccc2CCCc2c(I)ccc3ccncc23)ccc2ccncc12	[I;$([I][*;$([#6]);!$(*=*)]);$([$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]);!$([$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)])])]):1][*:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Iodide_PheHet6.PhenolHeteroaromatic6membered
-ullmann_phenol	9565	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1O)C(F)(F)F>>Cc1cocc1Oc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.Phenol
-ullmann_phenol	9566	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccoc1O)C(F)(F)F>>Cc1cocc1Oc1occc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic5membered
-ullmann_phenol	9567	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cccnc1O)C(F)(F)F>>Cc1cocc1Oc1ncccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic6membered
+ullmann_phenol	9565	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccccc1O)C(F)(F)F>>Cc1cocc1Oc1ccccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.Phenol
+ullmann_phenol	9566	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1ccoc1O)C(F)(F)F>>Cc1cocc1Oc1occc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic5membered
+ullmann_phenol	9567	Cc1cocc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cocc1CCc1cccnc1O)C(F)(F)F>>Cc1cocc1Oc1ncccc1CCc1cocc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaa1)]);$(*[a;$(*1[*][*][*][*]1)]);!$([$(*[$(a(aa2)a1a2aaaa1)]),$(*[$(a2aa1a(a2)aaaa1)]),$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)]),$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5.PhenolHeteroaromatic6membered
 ullmann_phenol	9568	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1ccccc1O)C(F)(F)F>>Cc1c(Oc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Het5.Phenol
 ullmann_phenol	9569	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1ccoc1O)C(F)(F)F>>Cc1c(Oc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9570	Cc1c(OS(=O)(=O)C(F)(F)F)oc2cocc12.O=S(=O)(Oc1oc2cocc2c1CCc1cccnc1O)C(F)(F)F>>Cc1c(Oc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3cocc23)oc2cocc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(a1aa(aaa2)a2a1)]),$(*[$(a1a(aaa2)a2aa1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Het5.PhenolHeteroaromatic6membered
@@ -9575,9 +9575,9 @@ ullmann_phenol	9573	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccncc12.O=S(=O)(Oc1oc2ccncc2c1CCc
 ullmann_phenol	9574	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccccc1O)C(F)(F)F>>Cc1c(Oc2ccccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Phe.Phenol
 ullmann_phenol	9575	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1ccoc1O)C(F)(F)F>>Cc1c(Oc2occc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Phe.PhenolHeteroaromatic5membered
 ullmann_phenol	9576	Cc1c(OS(=O)(=O)C(F)(F)F)oc2ccccc12.O=S(=O)(Oc1oc2ccccc2c1CCc1cccnc1O)C(F)(F)F>>Cc1c(Oc2ncccc2CCc2c(OS(=O)(=O)C(F)(F)F)oc3ccccc23)oc2ccccc12	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[$(*(aa2)c1c2cccc1)]),$(*[$(*2ac1c(a2)cccc1)])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het5Phe.PhenolHeteroaromatic6membered
-ullmann_phenol	9577	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1O)C(F)(F)F>>Cc1cnccc1Oc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.Phenol
-ullmann_phenol	9578	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccoc1O)C(F)(F)F>>Cc1cnccc1Oc1occc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic5membered
-ullmann_phenol	9579	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cccnc1O)C(F)(F)F>>Cc1cnccc1Oc1ncccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])][*;!$([a3])]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic6membered
+ullmann_phenol	9577	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccccc1O)C(F)(F)F>>Cc1cnccc1Oc1ccccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.Phenol
+ullmann_phenol	9578	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1ccoc1O)C(F)(F)F>>Cc1cnccc1Oc1occc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic5membered
+ullmann_phenol	9579	Cc1cnccc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1ccncc1CCc1cccnc1O)C(F)(F)F>>Cc1cnccc1Oc1ncccc1CCc1cnccc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1aaaaa1)]);$(*[a;$(*1[*][*][*][*][*]1)]);!$([$(*[c;$(c1ccccc1)]),$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]),$(*[c;$(c1ccc2c(aaa2)c1)]),$(*[$(c1cc2c(cccc2)cc1)]),$(*[$(c(ccc2)c1c2cccc1)]),$(*[$(a1ac2c(cccc2)aa1)]),$(*[$(a(aaa2)c1c2cccc1)]),$(*[$(c1cc2c(aaaa2)cc1)]),$(*[$(c(ccc2)c1c2aaaa1)]),$(*[$(a(aaa2)a1a2aaaa1)]),$(*[$(a1aa2a(aaaa2)aa1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6.PhenolHeteroaromatic6membered
 ullmann_phenol	9580	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1ccccc1O)C(F)(F)F>>Cc1nc2cocc2cc1Oc1ccccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;$(Oc1ccccc1),$(Oc1cccc1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6Het5.Phenol
 ullmann_phenol	9581	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1ccoc1O)C(F)(F)F>>Cc1nc2cocc2cc1Oc1occc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1cccc1);$(Oc1aaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6Het5.PhenolHeteroaromatic5membered
 ullmann_phenol	9582	Cc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F.O=S(=O)(Oc1cc2cocc2nc1CCc1cccnc1O)C(F)(F)F>>Cc1nc2cocc2cc1Oc1ncccc1CCc1nc2cocc2cc1OS(=O)(=O)C(F)(F)F	[O;$(OS(=O)(=O)C(F)(F)F);$([O;$(OS(=O)(=O)C(F)(F)F)][*;$([#6]);!$(*=*)]);$([$(*[a;$(a1a2a(aaa2)aaa1)]),$(*[a;$(a1aaa2a(aaa2)a1)]);!$([$(*[c;$(c1c2c(aaa2)ccc1)]),$(*[c;$(c1ccc2c(aaa2)c1)])])]):1][a:2].[O;H1;D1;!$(Oc1ccccc1);$(Oc1aaaaa1):3][#6:4]>>[a:2][O:3][#6:4]	X-Triflate_Het6Het5.PhenolHeteroaromatic6membered