SPICE Molecules that fail to load with OpenFF-Toolkit using Open-Eye

[jaclark5]

I came across a (non-exhaustive) number of SMILES strings that failed to have partial charges applied using Sage 2.2.1 with the OpenEye partial charges. There are three categories, those that contain Iodine, those that have partial charges, and those that have peculiar structures involving P, S, and/or N.

These lists are provided here as a record of current gaps.

There are 4 molecules with atoms that are out of scope out of 202. The out of scope atoms are: {'I'}
[H:25][c:10]1[c:11]([c:15]([c:20]2[c:18]([c:14]1[H:29])/[C:6](=[N:3]/[O:4][C:23]([H:33])([H:34])[H:35])/[C:8](=[C:7]/3\[c:17]4[c:13]([c:9]([c:12]([c:16]([c:19]4[N:21]([C:5]3=[O:1])[H:31])[I:2])[H:27])[H:24])[H:28])/[N:22]2[H:32])[H:30])[H:26]
[N:1]#[N+:5][C-:14]([C:7](=[O:3])[C@@:19]([N:16]([C:6](=[O:2])[C:17]([N:15]([H:25])[H:26])([H:28])[H:29])[H:27])([C:18]([c:13]1[c:10]([H:22])[c:8]([H:20])[c:12]([I:4])[c:9]([H:21])[c:11]1[H:23])([H:30])[H:31])[H:32])[H:24]
[I:1][P:21]([I:2])([c:18]1[c:12]([H:31])[c:6]([H:25])[c:3]([H:22])[c:7]([H:26])[c:13]1[H:32])([c:19]1[c:14]([H:33])[c:8]([H:27])[c:4]([H:23])[c:9]([H:28])[c:15]1[H:34])[c:20]1[c:16]([H:35])[c:10]([H:29])[c:5]([H:24])[c:11]([H:30])[c:17]1[H:36]
[I:1][P:13]([S:2][C:6]([H:14])([H:15])[H:16])([N:3]([C:7]([H:17])([H:18])[H:19])[C:8]([H:20])([H:21])[H:22])([N:4]([C:9]([H:23])([H:24])[H:25])[C:10]([H:26])([H:27])[H:28])[N:5]([C:11]([H:29])([H:30])[H:31])[C:12]([H:32])([H:33])[H:34]

There are 178 have charged atoms of 202
[H:27][c:13]1[c:18]([c:14]([c:16]([c:17]([c:15]1[Cl:4])[S+:20]([C:10]2=[N:6][N:19]([C:8](=[O:1])[C:12](=[C:11]2[H:26])[C:24]([H:38])([C:22]([H:32])([H:33])[H:34])[C:23]([H:35])([H:36])[H:37])[H:29])[O-:3])[Cl:5])[H:28])[C:21]([H:30])([H:31])[C:9](=[O:2])[O:7][H:25]
[N:1]#[N+:3][C-:12]([C:5](=[O:2])[O:4][c:9]1[c:7]([H:25])[c:6]([H:24])[c:8]([H:26])[c:10]2[c:11]1[C:17]([H:36])([H:37])[C:23]([N:13]([C:18]([C:20]([C:14]([H:28])([H:29])[H:30])([H:42])[H:43])([H:38])[H:39])[C:19]([C:21]([C:15]([H:31])([H:32])[H:33])([H:44])[H:45])([H:40])[H:41])([H:48])[C:22]([H:46])([H:47])[C:16]2([H:34])[H:35])[H:27]
[H:17][C:9]1([C:5]2=[C:6]([C:12]([C:13]([S+:7]1[C:8]([H:14])([H:15])[H:16])([H:26])[H:27])([H:24])[H:25])[O:2][N:1]=[C:4]2[O:3][C:11]([H:22])([H:23])[C:10]([H:19])([H:20])[H:21])[H:18]
[H:33][c:8]1[c:10]([c:15]([c:23]([c:16]([c:11]1[H:36])[H:41])[C:30]([H:50])([c:24]2[c:17]([c:12]([c:9]([c:13]([c:18]2[H:43])[H:38])[H:34])[H:37])[H:42])[N:27]([H:47])[C:7](=[S+:6][H:32])[N-:5][N:26]([H:46])[c:21]3[c:14]([c:19]([c:25]([c:20]([c:22]3[N+:29](=[O:1])[O-:4])[H:45])[S:31](=[O:2])(=[O:3])[N:28]([H:48])[H:49])[H:44])[H:39])[H:40])[H:35]
[O:1]=[N+:14]([O-:2])[c:12]1[c:8]([H:18])[c:9]([Br:3])[c:7]([H:17])[c:11]([C+:13]([N-:4][O:6][C:15]([H:20])([H:21])[H:22])[H:19])[c:10]1[O:5][H:16]
[H:30][C:12]1=[N:5][C:14]2=[C:15]([N:18]1[C@:26]3([C:22]([C@@:25]([C@@:27]([O:8]3)([H:50])[C:23]([H:43])([H:44])[O:7][C:20]([H:37])([H:38])[H:39])([H:48])[O:9][P:28](=[S:3])([C:24]([H:45])([H:46])[H:47])[O-:2])([H:42])[O:6][C:19]([H:34])([H:35])[H:36])[H:49])[N:4]=[C:11]([N:17]([C:10]2=[O:1])[C:21]([H:40])([H:41])[C:16](=[C:13]([H:31])[H:32])[H:33])[H:29]
[H:33][c:10]1[c:11]([c:13]([c:17]([c:14]([c:12]1[H:35])[H:37])[C:26]([H:40])([H:41])[N-:6][C:8](=[S+:7][H:31])[N:23]2[C:27]([C:29]([N:24]([C:30]([C:28]2([H:44])[H:45])([H:48])[H:49])[c:19]3[c:22]4[c:20]([c:16]([c:15]([c:18]([c:21]4[n:5][c:9]([n:4]3)[H:32])[H:38])[Cl:3])[N+:25](=[O:1])[O-:2])[H:39])([H:46])[H:47])([H:42])[H:43])[H:36])[H:34]
[H:32][C:14]([H:33])([H:34])[C:17]([H:36])([C:7](=[O:2])[N:9]([H:19])[C:15]([H:35])([C:6](=[O:1])[O-:4])[C:10]([H:20])([H:21])[H:22])[N+:18]([H:37])([H:38])[C:8](=[O:3])[O:5][C:16]([C:11]([H:23])([H:24])[H:25])([C:12]([H:26])([H:27])[H:28])[C:13]([H:29])([H:30])[H:31]
[H:20][c:10]1[c:11]([c:13]([c:15]2[c:14]([c:12]1[H:22])[C:8]3=[C:9]([C:6](=[C:7]([S:4]3)[C:5](=[O:1])[O:3][H:18])[H:19])[C:17]([S+:16]2[O-:2])([H:24])[H:25])[H:23])[H:21]
[H:30][c:10]1[c:11]([c:16]2[c:9]([n:3][c:8]1[H:29])[N:19]([C:5](=[C:4]2[H:27])/[C:6](=[C:7](/[H:28])\[C:26]3([C:24]([C:22]([C:23]([C:25]3([H:45])[H:46])([H:41])[H:42])([H:39])[H:40])([H:43])[H:44])[H:47])/[c:17]4[c:12]([c:14]([c:18]([c:15]([c:13]4[H:33])[Cl:2])[S+:20]([C:21]([H:36])([H:37])[H:38])[O-:1])[H:34])[H:32])[H:35])[H:31]
[H:21][c:12]1[c:10]([c:14]([c:11]([c:13]([c:15]1[N+:17](=[O:1])[O-:2])[H:22])[H:20])[S:6][N:16]([H:23])[C:8]2=[N:3][N-:4][C:9](=[S+:7][H:18])[S:5]2)[H:19]
[H:27][c:12]1[c:10]([c:8]([n:6][c:9]([c:11]1[H:26])[C:4]#[C:5][C:19]([H:31])([H:32])[O:7][c:17]2[c:15]([c:18]([c:14]([c:16]([c:13]2[H:28])[F:3])[H:29])[C:23]([C:22]([H:38])([H:39])[C:20]([H:33])([H:34])[H:35])([C:21]([H:36])([H:37])[O-:1])[O-:2])[H:30])[H:24])[H:25]
[H:27][c:8]1[c:9]([c:12]([c:17]([c:13]([c:10]1[H:29])[H:32])[C:6]2=[C:7]([C-:20]([c:19]3[c:18]2[c:14]([c:11]([c:16]([c:15]3[H:34])[O:3][C:22]([H:35])([H:36])[H:37])[H:30])[H:33])[N+:21](=[O:2])[C:26]([H:46])([H:47])[C:24]([H:41])([H:42])[H:43])[C:5](=[O:1])[O:4][C:25]([H:44])([H:45])[C:23]([H:38])([H:39])[H:40])[H:31])[H:28]
[H:29][c:10]1[c:9]([c:11]([c:16]2[c:17]([c:12]1[H:31])[C:8](=[C:7]([O:6]2)[H:27])[C+:21]([H:35])[N-:5][N:22]([C:25]([H:39])([H:40])[H:41])[S:26](=[O:2])(=[O:3])[c:20]3[c:15]([c:18]([c:13]([c:14]([c:19]3[C:24]([H:36])([H:37])[H:38])[H:33])[H:32])[N+:23](=[O:1])[O-:4])[H:34])[H:30])[H:28]
[H:23][c:7]1[c:8]2[c:9]([c:10]3[c:11]([c:12]1[S:22](=[O:3])(=[O:4])[N:15]([C:16]([H:25])([H:26])[H:27])[C:17]([H:28])([H:29])[H:30])[C:20]([N+:21]([C:19]3([H:34])[H:35])([H:38])[C:18]([H:31])([H:32])[H:33])([H:36])[H:37])[N:14]([C:6](=[O:2])[C-:13]2[N:5]=[O:1])[H:24]
[O:1]([c:7]1[c:4]([H:26])[c:6]([H:28])[c:9]2[c:8]([c:5]1[H:27])[C:18]13[C:15]([H:37])([H:38])[C:12]([H:31])([H:32])[S+:10]([C:11]([C:3](=[C:2]([H:23])[H:24])[H:25])([H:29])[H:30])[C@:21]([H:46])([C:19]2([H:43])[H:44])[C@:20]1([H:45])[C:17]([H:41])([H:42])[C:14]([H:35])([H:36])[C:13]([H:33])([H:34])[C:16]3([H:39])[H:40])[H:22]
[H:27][C:12]1=[C:14]([N:4]=[C:10]([S:6]1)[C:21]([H:39])([H:40])[C:22]([H:41])([H:42])[N:15]([H:28])[C:8](=[O:2])[C:18]([H:30])([H:31])[H:32])[C:9]2=[N:3][C:13](=[C:11]([S:5]2)[H:26])[C:7](=[O:1])[N:16]([H:29])[C:23]([H:43])([H:44])[C:25]([H:47])([H:48])[C:24]([H:45])([H:46])[S+:17]([C:19]([H:33])([H:34])[H:35])[C:20]([H:36])([H:37])[H:38]
[H:31][C:19]([H:32])([H:33])[N:18]([C:20]([H:34])([H:35])[H:36])[C:25]([H:37])([H:38])[C:26]([H:39])([H:40])[C:29]([H:41])([H:42])[N+:30]([H:43])([C:17](=[O:1])[C:24]([C:28]([C:23]([O:16][C:22]([C:27]([C:21]([F:3])([F:4])[F:5])([F:12])[F:13])([F:6])[F:7])([F:8])[F:9])([F:14])[F:15])([F:10])[F:11])[O-:2]
[H:8][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:10])[H:12])[C-:7]([H:13])[H:14])[H:11])[H:9]
[H:20][c:7]1[c:8]([c:12]([c:15]2[c:14]([c:10]1[H:23])[c:11]([c:9]([c:13]([n+:17]2[C-:16]([C:5](=[O:1])[O:3][C:18]([H:27])([H:28])[H:29])[C:6](=[O:2])[O:4][C:19]([H:30])([H:31])[H:32])[H:26])[H:22])[H:24])[H:25])[H:21]
[O:1]=[C:8]([O-:2])[C:22]([N:17]([H:35])[H:36])([C:25]([C:26]([C:24]([S+:19]([C:20]([C:10]1=[C:11]([H:31])[C:23]([N:18]2[C:9]([H:30])=[N:3][c:15]3[c:13]([N:16]([H:33])[H:34])[n:4][c:12]([H:32])[n:5][c:14]32)([H:42])[C:27]([O:7][H:29])([H:49])[C:21]1([O:6][H:28])[H:40])([H:38])[H:39])[H:37])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])[H:41]
[H:37][c:19]1[c:16]([c:23]([c:21]([c:20]([c:26]1[C:30]([F:5])([F:6])[F:7])[H:38])[Cl:8])[O:10][c:22]2[c:15]([c:18]([c:25]([c:24]([c:17]2[H:35])/[C:14](=[C:13](\[H:32])/[C:11](=[O:1])[O-:4])/[C:12](=[O:2])[O:9][H:31])[N+:29](=[O:3])[N:28]([H:41])[N:27]([H:39])[H:40])[H:36])[H:33])[H:34]
[H:25][c:10]1[c:5]([n:3][c:6]([c:11]([c:15]1[C:18]([H:33])([H:34])[N+:19]([H:35])([C:4](=[O:1])[c:12]2[c:7]([c:13]([c:9]([c:14]([c:8]2[H:23])[C:17]([H:30])([H:31])[H:32])[H:24])[C:16]([H:27])([H:28])[H:29])[H:22])[O-:2])[H:26])[H:21])[H:20]
[H:32][C:13]1=[C:17]([O:9][C:18](=[C:14]1[H:33])[N+:23](=[O:3])[O-:5])[C:12]2=[N:8][N:21]([C:25]2([H:38])[C:20]3=[C:16]([C:15](=[C:19]([O:10]3)[N+:24](=[O:4])[O-:6])[H:34])[H:35])[C:11](=[O:2])[C:26]([H:39])([H:40])[C:28]([H:42])([H:43])[C:30]([H:46])([H:47])[C:31]([H:48])([H:49])[C:29]([H:44])([H:45])[C:27]([H:41])([N:7]=[O:1])[N:22]([H:36])[H:37]
[S+:1]1([C:2]([H:12])([H:13])[H:14])[C:10]([C:3]([H:15])([H:16])[H:17])([C:4]([H:18])([H:19])[H:20])[C:8]([H:29])([H:30])[C:7]([H:27])([H:28])[C:9]([H:31])([H:32])[C:11]1([C:5]([H:21])([H:22])[H:23])[C:6]([H:24])([H:25])[H:26]
[H:29][c:9]1[c:13]([c:17]2[c:14]([c:10]([c:12]3[c:16]4[c:18]2[c:15]([c:11]1[H:31])[C:4](=[C:5]([C:20]4([C:6](=[C:8]5[C:21]3([C:7](=[C:3]([C:1](=[C:2]5[H:23])[H:22])[H:24])[H:28])[C+:19]([H:34])[H:35])[H:27])[H:36])[H:26])[H:25])[H:30])[H:33])[H:32]
[H:23][c:8]1[c:9]([c:11]([c:13]([c:12]([c:10]1[H:25])[H:27])[C:6](=[O:1])[O:5][C:18]2([C:16]([C:19]3([C:17]([C:20]([C@:22]([C:21]2([H:39])[C:7](=[O:2])[O:4][C:15]([H:28])([H:29])[H:30])([N+:14]3=[O:3])[H:40])([H:37])[H:38])([H:33])[H:34])[H:36])([H:31])[H:32])[H:35])[H:26])[H:24]
[H:25][c:8]1[c:6]([c:10]([c:7]([c:9]([c:11]1[N:12]([H:27])[C:5](=[O:1])[C:20]([H:43])([H:44])[C:21]([H:45])([H:46])[S+:13]([C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[H:26])[H:24])[O:3][C:18]([H:39])([H:40])[C:22]([H:47])([C:19]([H:41])([H:42])[O:4][C:17]([H:37])([H:38])[C:16]([H:34])([H:35])[H:36])[O-:2])[H:23]
[H:17][C:9]1([C:8]([S+:5]([N:4]([C:7]1([H:14])[C:3](=[O:1])[O-:2])[H:10])[C:6]([H:11])([H:12])[H:13])([H:15])[H:16])[H:18]
[H:9][C:5]1([C-:3]([C:6]([C:8]([C:7]1([H:13])[H:14])([H:15])[H:16])([H:11])[H:12])[N+:4](=[O:1])[O-:2])[H:10]
[O:1]=[C:6]([O:5][S+:7]([C:9]([H:11])([H:12])[H:13])[C:10]([H:14])([H:15])[H:16])[C:8]([F:2])([F:3])[F:4]
[H:18][C@:8]1([C@:9]([C:7]1([H:16])[H:17])([H:19])[S+:4]([C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])[C:3](=[O:1])[O-:2]
[H:27][C@@:12]1([C:9]([S@@+:6]([C:11]([C@@:13]([N:5]1[H:15])([H:28])[C:10]([H:22])([H:23])[H:24])([H:25])[H:26])[O-:2])([C:7]([H:16])([H:17])[H:18])[C:8]([H:19])([H:20])[H:21])[C:4](=[O:1])[O:3][H:14]
[H:26][c:8]1[c:9]([c:12]([c:15]2[c:13]([c:10]1[H:28])[N:2]=[C:5]([N:17]2[H:31])[S@+:18]([C@:24]3([c:7]4[c:16]([c:14]([c:11]([c:6]([n:3]4)[H:25])[H:29])[O:4][C:19]([H:32])([H:33])[H:34])[C:20]([C:21]([C:22]([C:23]3([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])[H:43])[O-:1])[H:30])[H:27]
[c:1]1([H:23])[c:2]([H:24])[c:4]([H:26])[c:13]([S+:19]([c:14]2[c:6]([H:28])[c:8]([H:30])[c:16]([C:20]([H:35])([H:36])[H:37])[c:9]([H:31])[c:7]2[H:29])[c:15]2[c:11]([H:33])[c:17]([C:21]([H:38])([H:39])[H:40])[c:10]([H:32])[c:12]([H:34])[c:18]2[C:22]([H:41])([H:42])[H:43])[c:5]([H:27])[c:3]1[H:25]
[H:24][C:6]1([C:7]([C:11]2([C:9]3([C:5]([S+:1]4[C:4]([C:8]3([C:10]1([C:12]2([C:13]4([C:2]([H:14])([H:15])[H:16])[C:3]([H:17])([H:18])[H:19])[H:32])[H:30])[H:28])([H:20])[H:21])([H:22])[H:23])[H:29])[H:31])([H:26])[H:27])[H:25]
[H:18][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:7]2=[C:6]([C:5](=[S+:4][S:2]2)[S:3][C:14]([H:20])([H:21])[H:22])[H:15])[H:19])[H:17])[Cl:1])[H:16]
[H:31][c:14]1[c:12]([c:10]([n:5][c:11]([c:13]1[H:30])/[C:9](=[N:4]/[N:21]([H:36])[C:7](=[S:2])[N:23]([H:38])[N:24]([H:39])[C:8](=[S:3])[N:22]([H:37])[c:19]2[c:15]([c:17]([c:20]([c:18]([c:16]2[H:33])[H:35])[N+:25](=[O:1])[O:6][H:27])[H:34])[H:32])/[C:26]([H:40])([H:41])[H:42])[H:28])[H:29]
[H:11][C:5]([H:12])([H:13])[S+:4]([C:6]([H:14])([H:15])[H:16])[C:8]([H:19])([H:20])[C:10]([H:23])([H:24])[C:9]([H:21])([H:22])[C:7]([H:17])([H:18])[C:3](=[O:1])[O-:2]
[H:8][C-:5]([C:3](=[O:1])[C:6]([H:9])([H:10])[H:11])[C:4](=[O:2])[C:7]([H:12])([H:13])[H:14]
[H:22][c:1]1[c:5]([c:14]2[c:7]([c:9]([c:16]3[c:10]([c:13]4[c:4]([c:3]([c:2]([c:11]([c:17]4[c:18]5[c:20]3[c:19]2[c:15]([c:6]1[H:26])[c:8]([c:12]5[H:32])[H:28])[H:31])[H:23])[C+:21]([H:33])[H:34])[H:24])[H:30])[H:29])[H:27])[H:25]
[O:1]=[C:8]([c:12]1[c:11]([H:29])[c:14]([C:19]([H:33])([H:34])[H:35])[c:16]2[c:15]([c:13]1[C:18]([H:30])([H:31])[H:32])[C:24]1([O:6][C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[O:7]1)[C:26]([H:46])([H:47])[C:27]([H:48])([H:49])[S:28]2(=[O:4])=[O:5])[C-:17]1[C:9](=[O:2])[C:22]([H:40])([H:41])[C:25]([H:44])([H:45])[C:23]([H:42])([H:43])[C:10]1=[O:3]
[H:19][C:7]1([C:11]([N+:15]2([C:12]([C:8]([N:5]1[C:9]([C:13]2([H:30])[H:31])([H:23])[H:24])([H:21])[H:22])([H:28])[H:29])[C:14]([H:32])([H:33])[C:10]([H:25])([C:6]([H:16])([H:17])[H:18])[O:3][C:4](=[O:1])[O-:2])([H:26])[H:27])[H:20]
[H:17][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:19])[H:21])[N+:16]([C:3](=[S:1])[N:11]([H:22])[H:23])([C:4](=[S:2])[N:12]([H:24])[C:14]([H:28])([H:29])[C:13]([H:25])([H:26])[H:27])[C:15]([H:30])([H:31])[H:32])[H:20])[H:18]
[O-:1][S+:9]([c:6]1[c:7]([C:10]([H:16])([H:17])[H:18])[c:3]([H:14])[c:5]([O:2][H:13])[c:4]([H:15])[c:8]1[C:11]([H:19])([H:20])[H:21])[C:12]([H:22])([H:23])[H:24]
[H:22][c:9]1[c:5]([c:13]([c:6]([c:10]([c:15]1[N-:4][N+:17](=[O:1])[c:16]2[c:11]([c:7]([c:14]([c:8]([c:12]2[H:25])[H:21])[Br:3])[H:20])[H:24])[H:23])[H:19])[Br:2])[H:18]
[H:14][c:6]1[c:7]([c:9]([c:11]([c:10]([c:8]1[H:16])[H:18])[C:3]2=[S+:2][S:1][C:5](=[C:4]2[H:13])[C:12]([H:19])([H:20])[H:21])[H:17])[H:15]
[H:20][c:7]1[c:8]([c:9]([c:6]([n:3][c:5]1[H:18])[H:19])[C@:17]2([C:16]([C:15]([C:14]([C:13]([S+:11]2[O-:1])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[C:4](=[S:2])[N:10]([H:22])[C:12]([H:23])([H:24])[H:25])[H:21]
[H:32][c:12]1[c:13]([c:19]\2[c:20]([c:14]([c:18]1[N+:22](=[O:1])[O-:4])[H:34])[S:27](=[O:2])(=[O:3])[N:21](/[S:23]2=[C:8](/[H:28])\[C:26]([H:42])([H:43])[O:7][c:17]3[c:10]([c:15]([c:9]([c:16]([c:11]3[H:31])[O:6][C:25]([H:39])([H:40])[H:41])[H:29])[O:5][C:24]([H:36])([H:37])[H:38])[H:30])[H:35])[H:33]
[H:36][c:18]1[c:16]([c:22]([c:17]([c:19]([c:23]1[C:27]([H:42])([H:43])[C:8](=[O:2])[N:24]([H:38])[C:12]2=[C:10]([C:11](=[C:9]([S:7]2)[H:30])[c:21]3[c:15]([c:20]([c:13]([n:5][c:14]3[O:6][C:26]([H:39])([H:40])[H:41])[H:32])[C:4]#[N:1])[H:33])[H:31])[H:37])[H:35])[S+:25]([C:29]([H:47])([H:48])[C:28]([H:44])([H:45])[H:46])[O-:3])[H:34]
[H:22][c:8]1[c:9]([c:12]([c:11]([c:13]([c:10]1[H:24])/[N+:18](=[C:7](\[C-:14]([H:26])[N+:17](=[O:1])[O-:2])/[N:16]([H:28])[C:20]([H:33])([H:34])[H:35])/[H:29])[H:25])[C:5]2=[C:6]([N:15]([C:4](=[N:3]2)[H:21])[H:27])[C:19]([H:30])([H:31])[H:32])[H:23]
[H:26][C:8]1=[C:10]([S+:15]([C:11](=[C:13]1[C:16]([H:29])([H:30])[H:31])[H:28])[C:12]2=[C:14]([O:5][C:7](=[C:9]([C:6]2=[O:1])[Cl:4])[H:25])[C:21]3([C:17]([C:19]([C:23]([C:20]([C:18]3([H:34])[H:35])([H:38])[H:39])([H:44])[S:24](=[O:2])(=[O:3])[C:22]([H:41])([H:42])[H:43])([H:36])[H:37])([H:32])[H:33])[H:40])[H:27]
[O:1]=[C:6]([O-:4])[C:7](=[O:2])[C-:21]([C:8](=[O:3])[c:18]1[c:16]([H:33])[c:20]([C:22]([c:19]2[c:13]([H:30])[c:10]([H:27])[c:9]([H:26])[c:11]([H:28])[c:14]2[H:31])([H:35])[H:36])[c:15]([H:32])[c:12]([H:29])[c:17]1[O:5][C:25]([C:23]([H:37])([H:38])[H:39])([C:24]([H:40])([H:41])[H:42])[H:43])[H:34]
[O-:1][S+:12]([C:4]1=[N:2][c:9]2[c:7]([H:21])[c:5]([H:19])[c:6]([H:20])[c:8]([H:22])[c:10]2[S:3]1)[N:11]([C:18]1([H:34])[C:16]([H:30])([H:31])[C:14]([H:26])([H:27])[C:13]([H:24])([H:25])[C:15]([H:28])([H:29])[C:17]1([H:32])[H:33])[H:23]
[H:37][c:18]1[c:19]([c:22]([c:21]([c:23]([c:20]1[H:39])[C:28]([F:3])([F:4])[F:5])[H:40])[C-:25]2[C:8](=[O:1])[N:26]3[C:13](=[C:12]([C:10](=[C:11]([C:14]3=[N+:27]([C:9]2=[O:2])[C:29]([H:41])([H:42])[c:24]4[c:16]([n:6][c:15]([n:7][c:17]4[H:36])[H:34])[H:35])[H:31])[H:30])[H:32])[H:33])[H:38]
[H:29][c:11]1[c:15]([c:20]([n+:24]([c:21]([c:16]1[H:34])[H:36])[C-:22]([C:5](=[O:1])[C:10]2=[C:9]([C:8](=[C:7]([S:4]2)[Cl:3])[H:27])[H:28])[C:6](=[S:2])[N:23]([H:37])[c:17]3[c:13]([c:18]([c:12]([c:14]([c:19]3[C:26]([H:41])([H:42])[H:43])[H:32])[H:30])[C:25]([H:38])([H:39])[H:40])[H:31])[H:35])[H:33]
[O:1]=[N+:20]([O-:4])[c:16]1[c:14]([H:28])[c:17]([S:23](=[O:2])(=[O:3])[N:19]([N-:6][C+:18]([C:10]2=[C:8]([H:24])[C:9]([H:25])=[C:11]([C:21]([H:30])([H:31])[H:32])[O:7]2)[C:22]([H:33])([H:34])[H:35])[H:29])[c:13]([H:27])[c:12]([H:26])[c:15]1[Cl:5]
[O:1]=[C:4]([C:5]1=[C:6]([C:16]([H:24])([H:25])[H:26])[N:13]([O-:3])[c:10]2[c:9]([H:20])[c:12]([C:17]([H:27])([H:28])[H:29])[c:8]([H:19])[c:7]([H:18])[c:11]2[N+:14]1=[O:2])[C:15]([H:21])([H:22])[H:23]
[H:32][c:14]1[c:15]([c:18]([c:17]([c:19]([c:16]1[H:34])[N:22]2[C:8](=[O:3])[C:25]([C:27]([C:26]2([H:40])[H:41])([H:42])[H:43])([H:38])[H:39])[H:35])[C:7](=[O:2])[N:21]([H:36])/[N+:24](=[C:13](\[H:31])/[C-:20]3[C:11](=[C:12]([C:10](=[C:9]([C:6]3=[O:1])[H:28])[H:29])[N+:23](=[O:4])[O-:5])[H:30])/[H:37])[H:33]
[H:21][c:6]1[c:7]([c:10]([c:11]([c:8]([c:9]1[C+:12]2[C:20]([C:19]([C:5](=[O:1])[N:13]([N-:4]2)[H:24])([H:34])[H:35])([H:36])[C:18]([H:31])([H:32])[H:33])[H:23])[N+:15](=[O:2])[O-:3])[N:14]([C:16]([H:25])([H:26])[H:27])[C:17]([H:28])([H:29])[H:30])[H:22]
[H:20][c:5]1[c:6]([c:13]([c:12]([c:15]([c:8]1[H:23])[S+:18]([c:14]2[c:10]([c:16]([c:9]([c:11]([c:7]2[H:22])[Cl:3])[H:24])[C:19]([H:28])([H:29])[H:30])[H:25])[O-:2])[C:4]#[N:1])[N:17]([H:26])[H:27])[H:21]
[H:14][C-:5]1[C:3](=[C:1]([C:2](=[C:4]1[C:9]([H:24])([H:25])[N+:10]([C:6]([H:15])([H:16])[H:17])([C:7]([H:18])([H:19])[H:20])[C:8]([H:21])([H:22])[H:23])[H:12])[H:11])[H:13]
[O:1]=[C:5]1[C:6]([N:8]2[C:12]([H:19])([H:20])[C:10]([H:15])([H:16])[O:4][C:11]([H:17])([H:18])[C:13]2([H:21])[H:22])=[N:3][S+:9]([O-:2])[N:7]1[H:14]
[O:1]=[C:6]1[N:23]([H:37])[C:8]([H:28])=[N:4][C:10]2=[C:9]([c:20]3[c:14]([H:32])[c:18]([H:36])[c:22]([S+:25]([O-:2])[c:21]4[c:16]([H:34])[c:12]([H:30])[c:11]([H:29])[c:13]([H:31])[c:17]4[H:35])[c:19]([O:5][C:26]([H:38])([H:39])[H:40])[c:15]3[H:33])[C:7]([H:27])=[N:3][N:24]12
[O-:1][S+:20]([c:17]1[c:11]([H:30])[c:6]([H:25])[c:10]([H:29])[c:16]([N:19]([C:5](=[N:3][H:24])[N:18]([c:15]2[c:9]([H:28])[c:14]([S:4][C:21]([H:33])([H:34])[H:35])[c:8]([H:27])[c:7]([H:26])[c:13]2[Cl:2])[H:32])[C:22]([H:36])([H:37])[H:38])[c:12]1[H:31])[C:23]([H:39])([H:40])[H:41]
[H:34][c:14]1[c:10]([c:20]([c:11]([c:15]([c:22]1[C:7]2=[C:6]([N:3]=[C:5]([C:26]2([H:40])[H:41])[c:23]3[c:16]([c:18]([c:24]([c:19]([c:17]3[H:37])[H:39])[S+:25]([C:27]([H:42])([H:43])[H:44])[O-:1])[H:38])[H:36])[c:21]4[c:12]([c:8]([n:4][c:9]([c:13]4[H:33])[H:29])[H:28])[H:32])[H:35])[H:31])[F:2])[H:30]
[H:32][c:13]1[c:11]([c:18]([c:12]([c:14]([c:19]1[C:24]2([c:20]3[c:15]([c:9]([c:16]([c:10]([c:17]3[O:5][C:8](=[N+:23]([H:35])[H:36])[C-:21]2[C:7](=[O:1])[O:6][C:26]([H:41])([H:42])[C:25]([H:38])([H:39])[H:40])[H:29])[O:4][H:27])[H:28])[H:34])[H:37])[H:33])[H:31])[N+:22](=[O:2])[O-:3])[H:30]
[H:32][c:11]1[c:12]([c:16]([c:21]2[c:19]([c:14]1[H:35])[C:5](=[O:1])[N:23]([c:20]3[c:15]([c:18]([c:13]([c:17]([c:22]3[S@@+:25]2[O-:3])[H:38])[H:34])[C:6](=[O:2])[N:24]([H:39])[C:28]([H:45])([H:46])[C:27]([H:43])([H:44])[C:10]4=[C:9]([C:8](=[C:7]([S:4]4)[H:29])[H:30])[H:31])[H:36])[C:26]([H:40])([H:41])[H:42])[H:37])[H:33]
[H:49][C@@:26]([C:12](=[O:2])[O:9][H:29])([C:22]([H:40])([H:41])[C:21]([H:38])([H:39])[C:11](=[O:1])[N:15]([H:33])[C@:27]([H:50])([C:13](=[O:3])[O:10][H:30])[C:23]([H:42])([H:43])[S+:17]([C:19]([H:34])([H:35])[S+:16]([C:20]([H:36])([H:37])[S+:18]([C:25]([H:47])([H:48])[S:28](=[O:4])(=[O:5])[C:24]([H:44])([H:45])[H:46])[O-:8])[O-:6])[O-:7])[N:14]([H:31])[H:32]
[H:17][c:4]1[c:5]([c:7]([c:9]2[c:8]([c:6]1[H:19])[C:3](=[N:2][S+:12]2[O-:1])[N:11]3[C:15]([C:13]([N:10]([C:14]([C:16]3([H:28])[H:29])([H:24])[H:25])[H:21])([H:22])[H:23])([H:26])[H:27])[H:20])[H:18]
[H:23][C:7]1=[C:10]([N:4]=[C:6]([S:5]1)[C:19]([H:36])([H:37])[N:12]([C:17]([H:30])([H:31])[H:32])[C:18]([H:33])([H:34])[H:35])[C:20]([H:38])([H:39])[S+:15]([C:22]([H:42])([H:43])[C:21]([H:40])([H:41])[N:13]([H:26])[C:8](=[C:9]([H:24])[N+:14](=[O:1])[O-:2])[N:11]([H:25])[C:16]([H:27])([H:28])[H:29])[O-:3]
[H:28][c:11]1[c:13]([c:17]2[c:18]([c:14]([c:15]1[C:4]#[C:3][c:9]3[c:10]([c:12]([c:16]([c:8]([n:5]3)[H:26])[C:7](=[O:1])[O:6][H:25])[H:29])[H:27])[H:31])[C:24]([C:23]([C:22]([S+:19]2[O-:2])([H:38])[H:39])([H:40])[H:41])([C:20]([H:32])([H:33])[H:34])[C:21]([H:35])([H:36])[H:37])[H:30]
[O:1]=[C:7]([c:16]1[c:13]([H:29])[c:12]([H:28])[c:14]([H:30])[c:17]([N+:21](=[O:2])[O-:3])[c:15]1[H:31])[N:19]([N-:4][C+:18]([C:10]1=[C:8]([H:26])[C:9]([H:27])=[C:11]([N:20]2[C:24]([H:38])([H:39])[C:22]([H:34])([H:35])[O:6][C:23]([H:36])([H:37])[C:25]2([H:40])[H:41])[O:5]1)[H:32])[H:33]
[H:28][c:9]1[c:11]([c:15]([c:19]2[c:17]([c:13]1[H:32])[N:22]([C:7]3=[N+:24]2[C:26]([C:25]([C:6](=[O:2])[C-:20]3[C:5](=[O:1])[N:21]([H:35])[c:16]4[c:12]([c:8]([c:10]([c:14]([c:18]4[N+:23](=[O:3])[O-:4])[H:33])[H:29])[H:27])[H:31])([H:37])[H:38])([H:39])[H:40])[H:36])[H:34])[H:30]
[H:27][c:15]1[c:13]([c:17]([c:14]([c:16]([c:18]1[C:22]([H:29])([H:30])[H:31])[H:28])[H:26])[N+:21]2=[C:12]([S:7][C:9](=[C:11]2[O:6][H:23])[H:24])[C-:19]([C:10](=[C:8]([Cl:3])[Cl:4])[Cl:5])[N+:20](=[O:1])[O-:2])[H:25]
[H:31][c:16]1[c:18]([c:19]([c:17]([c:21]([c:20]1[C:27]([H:38])([H:39])[H:40])[C:28]([H:41])([H:42])[H:43])[H:32])[N+:25](=[O:4])[O-:5])[C:12]2=[C:10]([C:11](=[C:13]([O:7]2)[C+:22]([H:33])[C:14]3=[C:15]([C-:23]([C:9](=[O:3])[N:24]([C:8]3=[O:2])[H:34])[C:6]#[N:1])[C:26]([H:35])([H:36])[H:37])[H:30])[H:29]
[H:30][c:10]1[c:12]([c:16]([c:20]([c:17]([c:13]1[H:33])[H:37])[C-:22]2[C:26]([C:27]3([c:21]4[c:18]([c:14]([c:11]([c:15]([c:19]4[O:3][C:9](=[N+:25]3[N:23]2[H:39])[C:7]5=[C:5]([C:6](=[C:8]([S:4]5)[N+:24](=[O:1])[O-:2])[H:29])[H:28])[H:35])[H:31])[H:34])[H:38])[H:42])([H:40])[H:41])[H:36])[H:32]
[H:33][c:16]1[c:14]([c:17]([c:22]2[c:25]([c:21]1[H:38])[N+:28](=[C:13]([S:7]2)[C-:26]([C:5]#[N:1])[C:8](=[O:2])[C:11]3=[C:9]([C:10](=[C:12]([O:6]3)[c:23]4[c:18]([c:15]([c:19]([c:24]([c:20]4[H:37])[N+:27](=[O:3])[O-:4])[H:36])[H:32])[H:35])[H:30])[H:29])[H:39])[H:34])[H:31]
[O:1]=[C:7]1[C:13]([N+:18](=[O:2])[O-:3])=[C:10]([H:23])[C:11]([O:6][C:20]([H:28])([H:29])[H:30])=[C:12]([H:24])[C-:15]1/[C:14](=[N+:19](/[N:17]1[C:8](=[S:4])[N:16]([H:26])[N:5]=[C:9]1[C:22]([C:21]([H:31])([H:32])[H:33])([H:34])[H:35])[H:27])[H:25]
[O:1]=[C:10]1[C:15]([N+:27](=[O:2])[O-:5])=[C:12]([H:34])[C:13]([Cl:7])=[C:14]([H:35])[C-:23]1/[C:16](=[N+:28](/[N:25]([C:11](=[S:6])[N:24]([c:21]1[c:19]([H:39])[c:22]([S:33](=[O:3])(=[O:4])[N:26]2[C:31]([H:47])([H:48])[C:29]([H:43])([H:44])[O:9][C:30]([H:45])([H:46])[C:32]2([H:49])[H:50])[c:18]([H:38])[c:17]([H:37])[c:20]1[Cl:8])[H:40])[H:41])[H:42])[H:36]
[N:1]#[C:5][C-:19]1[C:12](=[N+:21]([H:32])[H:33])[O:6][C:11]2=[C:10]([C:9](=[O:2])[C:27]([H:47])([H:48])[C:29]([C:25]([H:41])([H:42])[H:43])([C:26]([H:44])([H:45])[H:46])[C:28]2([H:49])[H:50])[C:24]1([c:18]1[c:14]([H:31])[c:16]([O:8][C:23]([H:37])([H:38])[H:39])[c:15]([O:7][C:22]([H:34])([H:35])[H:36])[c:13]([H:30])[c:17]1[N+:20](=[O:3])[O-:4])[H:40]
[H:29][c:6]1[c:7]([c:11]([c:18]([c:12]([c:8]1[H:31])[H:35])[C:4](=[O:1])[C-:27]([C:5](=[O:2])[c:19]2[c:13]([c:9]([c:17]([c:10]([c:14]2[H:37])[H:33])[Cl:3])[H:32])[H:36])[n+:28]3[c:23]([c:21]([c:25]4[c:20]([c:15]([c:16]([c:22]([c:26]4[c:24]3[H:44])[H:42])[H:39])[H:38])[H:40])[H:41])[H:43])[H:34])[H:30]
[H:22][C-:11]1[C:6](=[C:8]([C+:10]2[C:9](=[C:7]1[N:12]3[C:17]([C:19]([N:13]([C:20]([C:18]3([H:28])[H:29])([H:32])[H:33])[C:16]([H:23])([H:24])[H:25])([H:30])[H:31])([H:26])[H:27])[N+:15](=[O:2])[O:5][N-:4]2)[N+:14](=[O:1])[O-:3])[H:21]
[H:34][c:16]1[c:17]([c:19]([c:21]([c:20]([c:18]1[H:36])[H:38])[N+:24]2=[N:3][C-:22]([C:25]([C:26]2([H:41])[C:13]3=[C:10]([C:7](=[C:6]([O:5]3)[H:27])[H:28])[H:31])([H:39])[H:40])/[C:15](=[C:14](\[H:32])/[C:11]4=[C:8]([C:9](=[C:12]([O:4]4)[N+:23](=[O:1])[O-:2])[H:30])[H:29])/[H:33])[H:37])[H:35]
[O:1]=[C:5]([c:19]1[c:15]([H:33])[c:12]([H:30])[c:11]([H:29])[c:14]([H:32])[c:18]1[Br:3])[C-:22]([C:6](=[S:2])[N:23]([C:25]([C:10]1=[C:9]([H:28])[C:8]([H:27])=[C:7]([H:26])[O:4]1)([H:39])[H:40])[H:38])[n+:24]1[c:20]([H:36])[c:16]([H:34])[c:13]([H:31])[c:17]([H:35])[c:21]1[H:37]
[H:22][C:12]1([C:16]([N+:18]([C:17]([C:13]([C:14]12[C-:9]([C:7](=[S:3])[N:10]([C:8](=[N:6][H:19])[C:11]2([H:21])[C:5]#[N:2])[H:20])[C:4]#[N:1])([H:24])[H:25])([H:31])[H:32])([H:33])[C:15]([H:26])([H:27])[H:28])([H:29])[H:30])[H:23]
[O:1]=[C:5]([c:16]1[c:11]([H:27])[c:9]([H:25])[c:8]([H:24])[c:10]([H:26])[c:12]1[H:28])[C-:20]([C:7]1=[N+:23]([H:34])[c:19]2[c:15]([H:31])[c:18]([N+:22](=[O:3])[O-:4])[c:14]([H:30])[c:13]([H:29])[c:17]2[N:21]([H:33])[C:6]1=[O:2])[H:32]
[H:20][C:10]1([C:4]2=[C:5]([C:11]([C:13]([C:12]1([H:24])[H:25])([H:26])[H:27])([H:22])[H:23])[N+:7](=[O:1])[C:14]([N:6]2[O-:2])([C:8]([H:15])([H:16])[H:17])[C:9]([H:18])([H:19])[Cl:3])[H:21]
[H:34][c:20]1[c:19]([c:22]([c:21]([c:24]([c:23]1[C:16]2=[C:14]([C:15](=[C:17]([O:9]2)[C+:25]([H:36])[N-:6][N:26]([H:37])[C:12]3=[N:5][C:13](=[C:18]([S:10]3)[C:28]([H:38])([H:39])[C:11](=[O:1])[O:7][H:29])[O:8][H:30])[H:32])[H:31])[N+:27](=[O:2])[O-:3])[H:35])[Cl:4])[H:33]
[O:1]=[N+:23]([O-:2])[c:19]1[c:13]([H:36])[c:10]([H:33])[c:16]([H:39])[c:21]([C:26]2([H:43])[N+:24]([c:20]3[c:14]([H:37])[c:8]([H:31])[c:5]([H:28])[c:9]([H:32])[c:15]3[H:38])=[N:3][C-:22]([c:18]3[c:11]([H:34])[c:6]([H:29])[c:4]([H:27])[c:7]([H:30])[c:12]3[H:35])[C:25]2([H:41])[H:42])[c:17]1[H:40]
[H:32][c:16]1[c:15]([c:18]([c:17]([c:20]([c:19]1[C:25]([H:38])([H:39])[H:40])[C:26]([H:41])([H:42])[H:43])[H:33])[N:22]2[C:6](=[O:1])[C:10](=[C:12]([N-:4]2)[C:24]([H:35])([H:36])[H:37])[C+:21]([H:34])/[C:14](=[C:13](\[H:29])/[C:9]3=[C:7]([C:8](=[C:11]([O:5]3)[N+:23](=[O:2])[O-:3])[H:28])[H:27])/[H:30])[H:31]
[H:25][c:9]1[c:12]([c:16]([c:20]([c:17]([c:13]1[H:29])[H:33])[C:24]([H:37])([C:23]([H:35])([H:36])[C:8](=[O:4])[C-:21]([H:34])[N+:5]#[N:1])[N:22]2[C:6](=[O:2])[c:18]3[c:14]([c:10]([c:11]([c:15]([c:19]3[C:7]2=[O:3])[H:31])[H:27])[H:26])[H:30])[H:32])[H:28]
[H:30][c:11]1[c:12]([c:15]([c:14]([c:16]([c:13]1[H:32])[N+:21](=[O:4])[O-:5])[H:33])[C+:17]2[C:25]([C:29]3([C:28]([C:27]([N:20]([C:26]3([H:46])[H:47])[C:9](=[O:2])[C:24]([H:42])([H:43])[C:23]([H:39])([H:40])[H:41])([H:48])[C:10](=[O:3])[N:19]([H:36])[C:22]([H:37])([H:38])[C:8](=[O:1])[N:18]([H:34])[H:35])([H:49])[H:50])[O:7][N-:6]2)([H:44])[H:45])[H:31]
[H:25][c:6]1[c:5]([c:9]([c:7]([c:8]2[c:10]1[N+:13](=[O:2])[C:23]3([N:11]2[H:26])[C:21]([C:19]([C:18]([C:20]([C:22]3([H:44])[H:45])([H:40])[H:41])([H:36])[H:37])([H:38])[H:39])([H:42])[H:43])[N-:4][C:15]([H:30])([H:31])[C:17]([H:34])([H:35])[C:16]([H:32])([H:33])[C:14]([H:27])([H:28])[H:29])[N+:12](=[O:1])[O-:3])[H:24]
[O:1]=[N+:23]([O-:2])/[C:8]([C:6]1=[N+:24]([H:35])[c:19]2[c:16]([H:33])[c:20]([C:25]([H:36])([H:37])[H:38])[c:15]([H:32])[c:14]([H:31])[c:18]2[N:22]1[H:34])=[C:7](/[S:5][c:17]1[c:12]([H:29])[c:10]([H:27])[c:9]([H:26])[c:11]([H:28])[c:13]1[H:30])[C-:21]([Cl:3])[Cl:4]
[H:33][c:14]1[c:17]([c:23]([c:18]([c:15]([c:21]1[C-:24]2[c:22]3[c:16]([c:20]([c:13]([c:12]([c:19]3[N:3]=[C:7]([N:4]=[N+:26]2[H:38])[C:11]4=[C:10]([C:9](=[C:8]([O:5]4)[H:28])[H:29])[H:30])[H:31])[H:32])[O:6][C:27]([H:39])([H:40])[H:41])[H:35])[H:34])[H:37])[N+:25](=[O:1])[O-:2])[H:36]
[O:1]=[C:8]([C+:21]1[N-:6][N:22]([S:29](=[O:3])(=[O:4])[c:20]2[c:15]([H:36])[c:11]([H:32])[c:18]([C:24]([H:38])([H:39])[H:40])[c:12]([H:33])[c:16]2[H:37])[C:28]([H:45])([H:46])[C:27]1([c:19]1[c:13]([H:34])[c:9]([H:30])[c:10]([H:31])[c:17]([N+:23](=[O:2])[O-:5])[c:14]1[H:35])[H:44])[C:26]1([H:43])[O:7][C:25]1([H:41])[H:42]
[O:1]=[N+:11]([O-:3])[C:9]1=[C:7]([H:17])[C:6]([H:16])=[C:8]([C-:10]([N+:12](=[O:2])[C:14]([C:13]([O:5][H:15])([H:19])[H:20])([H:21])[H:22])[H:18])[O:4]1
[H:16][C:5]1=[C:4]([S:3][C:7](=[C:6]1[H:17])[C:8]2=[C:9]([N+:11](=[O:1])[C:14]([N:10]2[O-:2])([C:12]([H:19])([H:20])[H:21])[C:13]([H:22])([H:23])[H:24])[H:18])[H:15]
[H:34][c:13]1[c:12]([c:14]([c:19]([c:23]([c:18]1[H:39])[C:28]([H:44])([H:45])[C-:24]2[C:8](=[C:7]([C:6](=[O:1])[C:10](=[C:9]2[H:31])[N+:25](=[O:2])[O-:3])/[C:11](=[N+:26](\[H:40])/[c:21]3[c:15]([c:16]([c:22]([c:17]([c:20]3[O:5][H:29])[H:38])[C:27]([H:41])([H:42])[H:43])[H:37])[H:36])/[H:32])[H:30])[Cl:4])[H:35])[H:33]
[H:34][c:12]1[c:11]([c:13]([c:19]([c:21]([c:16]1[H:38])[N:25]2[C:9]3=[C:7]([C-:23]([C:6](=[C:8]([N+:26]3=[C:10]([C:5]2=[S:2])[C:4](=[O:1])[N:24]([H:42])[c:20]4[c:14]([c:17]([c:22]([c:18]([c:15]4[H:37])[H:40])[C:27]([H:43])([H:44])[H:45])[H:39])[H:36])[H:32])[H:30])[H:41])[H:31])[O:3][C:29]([H:49])([H:50])[C:28]([H:46])([H:47])[H:48])[H:35])[H:33]
[O:1]=[C:7]([c:10]1[n:5][c:9]([H:26])[c:11]([H:27])[c:13]([H:29])[c:12]1[H:28])[N:22]([C:25]([C:8](=[O:2])[N:21]([N-:6][C+:20]([c:18]1[c:14]([H:30])[c:16]([H:32])[c:19]([N+:23](=[O:3])[O-:4])[c:17]([H:33])[c:15]1[H:31])[C:24]([H:36])([H:37])[H:38])[H:34])([H:39])[H:40])[H:35]
[O:1]=[C:7]1[C:9]([H:30])=[C:10]([H:31])[C:12]([N+:27](=[O:2])[O-:3])=[C:11]([H:32])[C-:26]1/[C:13](=[N+:28](/[c:24]1[c:17]([H:37])[c:16]([H:36])[c:23]2[c:22]([c:18]1[H:38])[N:5]=[C:8]([C:29]([c:25]1[c:19]([H:39])[c:14]([H:34])[c:21]([Cl:4])[c:15]([H:35])[c:20]1[H:40])([H:42])[H:43])[O:6]2)[H:41])[H:33]
[O:1]=[C:9]1[C:17]([O:8][C:28]([H:39])([H:40])[H:41])=[C:12]([H:30])[C:14]([H:32])=[C:19]([H:34])[C-:23]1/[C:22](=[N+:27](/[N:24]([C:10](=[O:2])[C:18]1=[C:13]([H:31])[C:15]([H:33])=[C:21]([C:29]([N:25]2[N:6]=[C:11]([N+:26](=[O:3])[O-:4])[C:16]([Br:5])=[C:20]2[H:35])([H:42])[H:43])[O:7]1)[H:37])[H:38])[H:36]
[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1/[N+:20](=[N:6]/[C-:18]2[C:10](=[C:8]([C:7](=[O:1])[C:9](=[C:11]2[Cl:5])[H:22])[H:21])[Cl:4])/[H:27])[H:26])[H:24])[N+:19](=[O:2])[O-:3])[H:23]
[H:39][c:21]1[c:19]([c:23]([c:20]([c:22]([c:24]1[C:30]([H:45])([H:46])[H:47])[H:40])[H:38])[N:26]2[C:7](=[O:2])/[C:18](=[C:17](/[H:36])\[C:12]3=[C:10]([C:11](=[C:14]([O:5]3)[C-:25]4[C:13](=[C:15]([C:9](=[C:8]([C:6]4=[O:1])[H:31])[H:32])[N+:27](=[O:3])[O-:4])[H:35])[H:34])[H:33])/[C:16](=[N+:28]2[H:41])[C:29]([H:42])([H:43])[H:44])[H:37]
[H:34][c:13]1[c:14]([c:16]([c:22]([c:17]([c:15]1[H:36])[H:38])[C:9]2=[C:11]([N:26]([N+:28](=[C:12]2[C-:25]3[C:10](=[C:7]([C:8](=[C:6]([C:5]3=[O:1])[H:30])[O:4][C:29]([H:45])([H:46])[c:24]4[c:20]([c:18]([c:23]([c:19]([c:21]4[H:42])[H:40])[N+:27](=[O:2])[O-:3])[H:39])[H:41])[H:31])[H:32])[H:44])[H:43])[H:33])[H:37])[H:35]
[H:29][c:10]1[c:11]([c:15]([c:19]2[c:18]([c:14]1[H:33])[C:7](=[C:8]([N:23]2[C:27]([H:43])([H:44])[H:45])[C:25]([H:38])([H:39])[H:40])[C+:21]([H:36])[N-:4][N:22]([H:37])[C:6](=[O:1])[C:26]([H:41])([H:42])[O:5][c:17]3[c:13]([c:9]([c:12]([c:16]([c:20]3[N+:24](=[O:2])[O-:3])[H:35])[H:31])[H:28])[H:32])[H:34])[H:30]
[H:26][c:11]1[c:13]([c:16]([c:14]([c:15]([c:12]1[H:27])[O:3][C:19]([H:31])([H:32])[H:33])[H:29])[C:4](=[O:1])[C:20]([H:34])([H:35])[N:17]\2[C:8](=[C:6]([C:5](=[C:7](/[C:9]2=[C:10](/[H:25])\[N+:18](=[O:2])[H:30])[H:23])[H:21])[H:22])[H:24])[H:28]
[H:21][c:5]1[c:7]([c:10]2[c:9]([c:8]([c:6]1[H:22])/[N+:13](=[C:4](/[C-:11]([H:24])[N+:12](=[O:1])[O-:2])\[S:3][C:14]([H:26])([H:27])[H:28])/[H:25])[C:19]([C:18]([C:20]2([C:16]([H:32])([H:33])[H:34])[C:17]([H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[C:15]([H:29])([H:30])[H:31])[H:23]
[O:1]=[C:10]([C-:22]([C:11]1=[N+:25]([C:28]([c:21]2[c:13]([H:32])[n:9][c:15]([Cl:5])[c:17]([H:34])[c:19]2[H:36])([H:40])[H:41])[C:30]([H:44])([H:45])[C:29]([H:42])([H:43])[N:23]1[C:27]([c:20]1[c:12]([H:31])[n:8][c:14]([Cl:4])[c:16]([H:33])[c:18]1[H:35])([H:38])[H:39])[N+:24](=[O:2])[O-:3])[C:26]([Cl:6])([Cl:7])[H:37]
[O:1]=[C:10]([c:21]1[c:14]([H:32])[c:12]([H:30])[c:19]([Cl:5])[c:13]([H:31])[c:20]1[Cl:6])[N:25]([C:29]([C:11](=[O:2])[O:8][C:27]([H:39])([H:40])[H:41])([C+:24]([N-:7][O:9][C:28]([c:23]1[c:17]([H:35])[c:15]([H:33])[c:22]([N+:26](=[O:3])[O-:4])[c:16]([H:34])[c:18]1[H:36])([H:42])[H:43])[H:37])[H:44])[H:38]
[H:34][c:17]1[c:18]([c:21]([c:20]([c:22]([c:19]1[H:36])[N+:26](=[O:4])[O-:5])[H:37])[C:9](=[O:1])[O:7][C:28]([H:41])([H:42])[C:16]2=[C:14]([N+:25](=[O:3])[C:15]3=[C:13]([C-:24]([C:12](=[C:11]([C+:23]3[N-:6]2)[H:31])[H:32])[O:8][C:30]([H:46])([H:47])[C:29]([H:43])([H:44])[H:45])[H:33])[C:10](=[O:2])[C:27]([H:38])([H:39])[H:40])[H:35]
[H:20][C:4]1=[C:7]([N:10]([C:8](=[C:5]([C:6]1=[C:9]([H:24])[N+:12](=[O:2])[H:26])[H:21])[H:23])[C:13]([H:27])([H:28])[C:3](=[O:1])[N:11]([H:25])[C:19]2([C:17]([C:15]([C:14]([C:16]([C:18]2([H:37])[H:38])([H:33])[H:34])([H:29])[H:30])([H:31])[H:32])([H:35])[H:36])[H:39])[H:22]
[H:23][c:9]1[c:10]([c:13]([c:17]([c:14]([c:11]1[H:25])[H:28])[C:6](=[O:3])/[C:8](=[C:7](/[H:22])\[C-:20]([C:4]#[N:1])[C:5]#[N:2])/[n+:21]2[c:18]([c:15]([c:12]([c:16]([c:19]2[H:32])[H:30])[H:26])[H:29])[H:31])[H:27])[H:24]
[O:1]=[C:8]1[c:25]2[c:21]([H:40])[c:17]([H:36])[c:16]([H:35])[c:20]([H:39])[c:24]2[N:5]=[C:10]([N:28]([N-:6][C+:27]([C:13]2=[C:11]([H:32])[C:12]([H:33])=[C:14]([N+:30](=[O:3])[O-:4])[O:7]2)[H:43])[C:9](=[O:2])[C:31]([H:44])([H:45])[H:46])[N:29]1[c:26]1[c:22]([H:41])[c:18]([H:37])[c:15]([H:34])[c:19]([H:38])[c:23]1[H:42]
[H:26][c:9]1[c:7]([c:11]([c:8]([c:10]([c:12]1[C:17]([H:31])([H:32])[S:5][C:16]([H:29])([H:30])[C:6](=[O:1])[N:14]([H:28])[N-:4][C+:13]2[C:18]([C:20]([C:22]([C:23]([C:21]([C:19]2([H:35])[H:36])([H:39])[H:40])([H:43])[H:44])([H:41])[H:42])([H:37])[H:38])([H:33])[H:34])[H:27])[H:25])[N+:15](=[O:2])[O-:3])[H:24]
[H:33][c:10]1[c:11]([c:13]([c:19]2[c:18]([c:12]1[H:35])[C:4](=[O:1])[C-:22]([C:5]2=[O:2])[N:24]3[C:7](=[C:8]([N+:25](=[C:9]3[H:32])[C:26]([H:42])([H:43])[C:6](=[O:3])[N:23]([H:41])[c:20]4[c:14]([c:16]([c:21]([c:17]([c:15]4[H:38])[H:40])[C:29]([H:50])([C:27]([H:44])([H:45])[H:46])[C:28]([H:47])([H:48])[H:49])[H:39])[H:37])[H:31])[H:30])[H:36])[H:34]
[H:23][c:7]1[c:10]([c:8]([c:6]([c:9]2[c:11]1[N+:14](=[O:1])[C:5]3=[C:4]([N:12]2[O-:2])[C:15]([C:19]([C:16]3([H:26])[H:27])([H:32])[H:33])([H:24])[H:25])[H:22])[F:3])[N:13]4[C:17]([C:20]([C:21]([C:18]4([H:30])[H:31])([H:36])[H:37])([H:34])[H:35])([H:28])[H:29]
[H:24][C:11]1=[C:10]([C:9](=[C:12]([C:7](=[O:1])[C-:16]1/[C:15](=[N+:19](\[H:29])/[N:5]=[C:14](/[N:17]([H:27])[H:28])\[S:6][C:20]([H:30])([H:31])[C:13](=[C:8]([H:21])[H:22])[H:25])/[H:26])[N+:18](=[O:2])[O-:3])[H:23])[Br:4]
[O:1]=[C:8]1[C:10]([H:25])=[C:12]([O:5][H:24])[C-:15](/[C:14](=[N+:18](/[N:16]([C:9](=[O:2])[C:22]([C:23]2([C:19]([H:30])([H:31])[H:32])[O:6][C:20]([H:33])([H:34])[C:21]([H:35])([H:36])[O:7]2)([H:37])[H:38])[H:28])[H:29])[H:27])[C:11]([H:26])=[C:13]1[N+:17](=[O:3])[O-:4]
[H:35][c:14]1[c:17]([c:23]([c:19]([c:24]([c:18]1[H:39])[N+:29](=[O:2])[O-:3])[H:40])[C:10]2=[C:9]([S:6][C:8](=[N:4]2)[C-:26]3[C:11](=[C:12]([N+:30](=[C:13]3[N:27]([H:43])[H:44])[N:28]([H:45])[C:7](=[O:1])[c:22]4[c:15]([c:20]([c:25]([c:21]([c:16]4[H:37])[H:42])[C:31]([H:46])([H:47])[H:48])[H:41])[H:36])[H:34])[O:5][H:32])[H:33])[H:38]
[H:27][c:8]1[c:9]([c:15]([c:19]([c:16]([c:10]1[H:29])[H:35])[C:26]([H:39])([H:40])[N+:24]2=[C:7]3[C:5](=[O:1])[N:21]([C:6](=[O:2])[C:25]3([C-:20]([N:22]2[H:37])[c:17]4[c:11]([c:13]([c:18]([c:14]([c:12]4[H:31])[H:33])[N+:23](=[O:3])[O-:4])[H:32])[H:30])[H:38])[H:36])[H:34])[H:28]
[H:27][c:11]1[c:15]([c:14]([c:10]([c:12]2[c:13]1[O:7][C:22]([C:21]([O:6]2)([H:35])[H:36])([H:37])[H:38])[H:26])[N+:17](=[O:3])[O-:4])/[N+:18](=[N:5]/[C-:16]3[C:8](=[O:1])[C:23]([C:25]([C:24]([C:9]3=[O:2])([H:41])[H:42])([C:19]([H:29])([H:30])[H:31])[C:20]([H:32])([H:33])[H:34])([H:39])[H:40])/[H:28]
[H:32][c:12]1[c:14]([c:17]([c:15]([c:16]([c:13]1[H:33])[N+:21](=[O:4])[O-:5])[H:35])/[N+:22](=[C:11](\[H:31])/[C-:18]2[C:6](=[O:1])[N:19]([C:8](=[O:3])[N:20]([C:7]2=[O:2])[C:25]([H:42])([H:43])[C:27]([H:46])([H:47])[C:26]([H:44])([H:45])[C:24]([H:39])([H:40])[H:41])[C:23]([H:37])([H:38])[C:10](=[C:9]([H:28])[H:29])[H:30])/[H:36])[H:34]
[H:29][c:7]1[c:6]([c:9]([c:14]([c:16]([c:11]1[H:33])[N:20]2[C:24]([C:5](=[N+:22]([C:26]([C:25]2([H:42])[H:43])([H:44])[H:45])[N:19]([H:36])[C-:18]([H:35])[c:15]3[c:10]([c:8]([c:13]([c:17]([c:12]3[H:34])[N+:21](=[O:1])[O-:2])[Cl:3])[H:30])[H:32])[H:27])([H:40])[H:41])[O:4][C:23]([H:37])([H:38])[H:39])[H:31])[H:28]
[H:20][c:6]1[c:7]([c:10]([c:9]([c:11]([c:8]1[H:22])[N+:14](=[O:1])[O-:2])[H:23])[C+:12]([H:24])[N-:4][N:13]([H:25])[C:5]2=[N:3][C:15]([C:17]([C:19]([C:18]([C:16]2([H:28])[H:29])([H:32])[H:33])([H:34])[H:35])([H:30])[H:31])([H:26])[H:27])[H:21]
[O:1]=[N+:23]([O-:2])[c:21]1[c:17]([H:35])[c:13]([H:31])[c:16]([H:34])[c:20]([C-:22](/[N:3]=[N+:24](/[c:7]2[n:4][c:6](-[c:19]3[c:14]([H:32])[c:11]([H:29])[c:10]([H:28])[c:12]([H:30])[c:15]3[H:33])[n:5][c:8]([C:25]([H:38])([H:39])[H:40])[c:9]2[H:27])[H:37])[C:26]([H:41])([H:42])[H:43])[c:18]1[H:36]
[H:16][c:6]1[c:7]([c:10]([c:9]([c:11]([c:8]1[H:18])[N+:12](=[O:1])[H:19])[O:3][H:14])/[C:5](=[N:2]/[O:4][C:13]([H:20])([H:21])[H:22])/[H:15])[H:17]
[H:19][c:6]1[c:8]([c:11]([c:9]([c:7]([c:10]1[C:5](=[O:2])[N:12]([H:23])[N:13]([H:24])[C:16]([H:30])([H:31])[C:18]([H:34])([H:35])[C:17]([H:32])([H:33])[C:15]([H:27])([H:28])[H:29])[H:20])[H:22])[C:14]([H:25])([H:26])[N-:4][N+:3]#[N:1])[H:21]
[H:40][c:16]1[c:17]([c:25]([c:28]2[c:27]([c:23]1[H:42])[c:24]([c:21]([c:19]([c:26]2[S+:29]([c:22]3[c:14]([c:11]([c:12]([c:18]([c:15]3[H:39])[O:7][C:30]([F:2])([F:3])[F:4])[H:36])[H:35])[H:38])[O-:1])[O:6][H:31])[c:20]4[c:13]([c:10]([c:8]([n:5][c:9]4[H:33])[H:32])[H:34])[H:37])[H:43])[H:44])[H:41]
[H:26][C:4]#[C:5][C:23]([H:33])([H:34])[C:25]([H:37])([H:38])[C:24]([H:35])([H:36])[N:21]1[c:12]2[c:18]([c:11]([n:7][c:10]([n:8]2)[H:27])[N:20]([H:31])[H:32])[N:6]=[C:9]1[S+:22]([c:19]3[c:15]([c:13]([c:16]([c:14]([c:17]3[Cl:3])[H:29])[Cl:2])[H:28])[H:30])[O-:1]
[H:13][c:6]1[c:8]([c:11]([c:9]([c:7]([c:10]1[Br:5])[H:14])[Cl:4])[S+:12](=[O:1])([H:15])[O-:2])[Cl:3]
[H:20][c:6]1[c:8]([c:11]([c:9]([c:7]([c:10]1[O:3][P:19](=[S:2])([O:4][C:16]([H:33])([H:34])[C:14]([H:27])([H:28])[H:29])[S:5][C:17]([H:35])([H:36])[C:18]([H:37])([H:38])[C:15]([H:30])([H:31])[H:32])[H:21])[H:23])[S+:12]([C:13]([H:24])([H:25])[H:26])[O-:1])[H:22]
[H:32][c:14]1[c:10]([c:17]([c:11]([c:18]2[c:20]1/[C:9](=[C:8](/[H:27])\[c:19]3[c:12]([c:15]([c:21]([c:16]([c:13]3[H:31])[H:34])[S+:22]([C:25]([H:40])([H:41])[H:42])[O-:2])[H:33])[H:30])/[C:6](=[C:7]2[C:24]([H:38])([H:39])[C:5](=[O:1])[O:4][H:26])[C:23]([H:35])([H:36])[H:37])[H:29])[F:3])[H:28]
[O:1]=[C:5]([O:4][C:16]([H:25])([H:26])[H:27])[N:13]([C:6]1=[N:3][c:10]2[c:9]([H:22])[c:12]([S@@+:15]([O-:2])[C:18]([C:19]([C:17]([H:28])([H:29])[H:30])([H:33])[H:34])([H:31])[H:32])[c:8]([H:21])[c:7]([H:20])[c:11]2[N:14]1[H:24])[H:23]
[H:29][c:10]1[c:8]([c:15]([c:9]([c:11]([c:16]1[N:20]([H:34])[c:17]2[c:12]([c:13]([c:19]([c:14]([c:18]2[N+:22](=[O:1])[O:6][H:26])[H:33])[S:25](=[O:2])(=[O:3])[N:21]([H:35])[C:24]([H:37])([H:38])[H:39])[H:32])[H:31])[H:30])[H:28])[O:7][C:23]([H:36])([F:4])[F:5])[H:27]
[O:1]=[C:5]1[C:8]2=[C:9]([N:4]=[C:7]([H:28])[N:22]2[H:38])[N:23]([c:19]2[c:14]([H:33])[c:11]([H:30])[c:15]([H:34])[c:20]([S+:25]([O-:3])[C:27]([H:41])([H:42])[H:43])[c:16]2[H:35])[C:6](=[O:2])[N:24]1[C:26]([c:21]1[c:17]([H:36])[c:12]([H:31])[c:10]([H:29])[c:13]([H:32])[c:18]1[H:37])([H:39])[H:40]
[H:32][C:14]1=[C:13]([c:18]2[c:17]([n:4][c:15]([n:3][c:16]2[N:19]([H:33])[H:34])[C:22]([H:38])([H:39])[H:40])[N:20]1[C@:26]3([C@:27]([C@:24]([C@:25]([O:10]3)([C:23]([H:41])([H:42])[O:8][H:29])[N-:6][N+:5]#[N:1])([H:43])[O:9][H:30])([H:45])[O:11][H:31])[H:44])[C:12](=[N:2][H:28])[O:7][C:21]([H:35])([H:36])[H:37]
[O:1]=[C:7]([N:16]([C@:24]1([H:44])[C:8](=[O:2])[N:17]([C@@:25]([C:9](=[O:3])[O:5][H:26])([C:23]([C:20]([H:35])([H:36])[H:37])([C:21]([H:38])([H:39])[H:40])[H:43])[H:45])[S+:18]([O-:4])[C:22]1([H:41])[H:42])[H:32])[C:19]([O:6][c:15]1[c:13]([H:30])[c:11]([H:28])[c:10]([H:27])[c:12]([H:29])[c:14]1[H:31])([H:33])[H:34]
[H:25][c:8]1[c:12]([c:18]([c:13]([c:16]([c:9]1[H:26])[Cl:3])[H:30])[C:7]2=[C:6]([O:4][C:24]([C:5]2=[O:1])([C:22]([H:36])([H:37])[H:38])[C:23]([H:39])([H:40])[H:41])[c:17]3[c:10]([c:14]([c:19]([c:15]([c:11]3[H:28])[H:32])[S+:20]([C:21]([H:33])([H:34])[H:35])[O-:2])[H:31])[H:27])[H:29]
[O-:1][S+:8]([c:7]1[c:5]([H:14])[c:3]([H:12])[c:2]([H:11])[c:4]([H:13])[c:6]1[H:15])[C:10]([C:9]([H:16])([H:17])[H:18])([H:19])[H:20]
[H:9][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[S+:2]([C:3]([H:6])([H:7])[H:8])[O-:1]
[H:11][C:5]1([C:6]([C:4]([S+:2]([C:3]1([H:7])[H:8])[O-:1])([H:9])[H:10])([H:13])[H:14])[H:12]
[H:14][c:4]1[c:5]([c:7]([c:9]([c:8]([c:6]1[H:16])[H:18])[S+:10]([C:3](=[C:2]([H:11])[H:12])[H:13])[O-:1])[H:17])[H:15]
[H:24][c:11]1[c:12]([c:16]([c:13]([c:14]([c:15]1[C:5]2=[N:2][C:9]3=[C:7]([C:8](=[C:10]([N:17]([C:6]3=[N:3]2)[H:27])[H:23])[H:22])[H:21])[O:4][C:19]([H:28])([H:29])[H:30])[H:26])[S+:18]([C:20]([H:31])([H:32])[H:33])[O-:1])[H:25]
[H:27][c:4]1[c:3]([c:5]([c:10]2[c:12]([c:7]1[H:30])[N:15]([c:13]3[c:9]([c:14]([c:8]([c:6]([c:11]3[S:2]2)[H:29])[H:31])[S+:17]([C:18]([H:34])([H:35])[H:36])[O-:1])[H:32])[C:20]([H:39])([H:40])[C:23]([H:45])([H:46])[C:25]4([C:24]([C:22]([C:21]([C:19]([N:16]4[H:33])([H:37])[H:38])([H:41])[H:42])([H:43])[H:44])([H:47])[H:48])[H:49])[H:28])[H:26]
[O-:1][S+:20]([C:6]1=[N:5][c:15]2[c:9]([H:24])[c:16](-[c:17]3[c:10]([H:25])[c:7]([H:22])[c:8]([H:23])[c:12]([Cl:2])[c:14]3[Cl:4])[c:13]([Cl:3])[c:11]([H:26])[c:18]2[N:19]1[H:27])[C:21]([H:28])([H:29])[H:30]
[H:33][c:14]1[c:15]([c:19]([c:23]([c:20]([c:16]1[H:35])[H:39])[S+:27]([C:31]([H:47])([H:48])[C:13]2=[C:12]([C:30]([C:11](=[C:10]([N:26]2[H:42])[C:28]([H:43])([H:44])[H:45])[C:7]#[N:1])([H:46])[c:25]3[c:22]([c:18]([c:17]([c:21]([c:24]3[C:29]([F:4])([F:5])[F:6])[H:40])[H:36])[H:37])[H:41])[C:9](=[O:2])[O:8][H:32])[O-:3])[H:38])[H:34]
[H:19][C:7]1=[N:3][S:4][C:8]2=[C:12]1[C:17]([C:18]([C:13]3=[C:9]([S:5][C:11](=[C:10]32)[S+:15]([C:16]([H:22])([H:23])[H:24])[O-:2])[C:6](=[O:1])[N:14]([H:20])[H:21])([H:27])[H:28])([H:25])[H:26]
[H:25][c:8]1[c:10]([c:14]([c:18]([c:15]([c:11]1[H:28])[H:32])[C:22]([H:37])([c:19]2[c:16]([c:12]([c:9]([c:13]([c:17]2[H:34])[H:30])[H:26])[H:29])[H:33])[S+:20]([C:21]([H:35])([H:36])[C:7]3=[C:5]([S:3][C:4](=[C:6]3[H:24])[H:23])[Br:2])[O-:1])[H:31])[H:27]
[O-:1][S+:19]([C:22]([C:5]1=[N:2][N:18]([H:34])[C:21]([O:3][C:20]([H:35])([H:36])[H:37])([H:38])[S:4]1)([H:39])[H:40])[C:23]([c:16]1[c:12]([H:30])[c:8]([H:26])[c:6]([H:24])[c:9]([H:27])[c:13]1[H:31])([c:17]1[c:14]([H:32])[c:10]([H:28])[c:7]([H:25])[c:11]([H:29])[c:15]1[H:33])[H:41]
[O-:1][S+:24]([C:26]([c:8]1[n:5][c:9]([O:7][H:28])[c:11]([H:29])[c:10]([C:25]([F:2])([F:3])[F:4])[n:6]1)([H:40])[H:41])[C:27]([c:22]1[c:18]([H:36])[c:14]([H:32])[c:12]([H:30])[c:15]([H:33])[c:19]1[H:37])([c:23]1[c:20]([H:38])[c:16]([H:34])[c:13]([H:31])[c:17]([H:35])[c:21]1[H:39])[H:42]
[H:27][c:7]1[c:9]([c:14]([c:18]2[c:15]([c:10]1[H:30])[C:6]3=[C:5]([N:2]=[C:4]([N:19]3[C:22]2([H:37])[C:23]([H:38])([H:39])[C:21]([H:36])([c:17]4[c:12]([c:8]([c:11]([c:16]([c:13]4[H:33])[N+:20](=[O:1])[H:35])[H:31])[H:28])[H:32])[O:3][H:24])[H:25])[H:26])[H:34])[H:29]
[O-:1][S+:18]([c:13]1[n:4][c:14]([H:24])[c:16]([H:25])[c:15]([C:12]2=[C:9]([H:21])[N:3]=[C:8]3[C:11]([H:23])=[C:10]([H:22])[C:7]([O:6][C:19]([H:26])([H:27])[H:28])=[N:2][N:17]32)[n:5]1)[C:20]([H:29])([H:30])[H:31]
[H:30][c:11]1[c:14]([c:18]([c:22]([c:19]([c:15]1[H:34])[H:38])[c:9]2[c:20]3[c:8]([n:2][c:7]([n:3]2)[c:21]4[c:16]([c:12]([c:10]([c:13]([c:17]4[H:36])[H:32])[H:29])[H:31])[H:35])[S:4][C:6](=[C:5]3[H:28])[S+:23]([C:25]([H:42])([H:43])[C:27]([H:46])([H:47])[C:26]([H:44])([H:45])[C:24]([H:39])([H:40])[H:41])[O-:1])[H:37])[H:33]
[O:1]=[C:6]([c:17]1[c:15]([H:29])[c:14]([C:10]2=[C:9]([H:28])[C:8]([H:27])=[C:7]([H:26])[S:4]2)[n:3][c:13]2[c:16]1[C:11]([N:18]([H:30])[H:31])=[C:12]([S+:20]([O-:2])[C:24]([C:25]([C:23]([H:38])([H:39])[H:40])([H:43])[H:44])([H:41])[H:42])[S:5]2)[N:19]([C:21]([H:32])([H:33])[H:34])[C:22]([H:35])([H:36])[H:37]
[H:32][c:18]1[c:20]([c:19]2[c:16]([n:4][c:17]1[C:8]3=[N:2][C:10](=[C:12]([S:6]3)[H:31])[H:29])[S:7][C:15](=[C:13]2[N:21]([H:33])[H:34])[S+:23]([C:28]([H:46])([H:47])[C:27]([H:44])([H:45])[O:5][C:24]([H:35])([H:36])[H:37])[O-:1])[C:14]4=[C:11]([N:3]=[C:9]([N:22]4[C:26]([H:41])([H:42])[H:43])[C:25]([H:38])([H:39])[H:40])[H:30]
[H:23][c:2]1[c:3]([c:5]([c:10]([c:9]([c:4]1[H:25])[N:15]2[C:21]([C:19]([N:14]([C:20]([C:22]2([H:43])[H:44])([H:39])[H:40])[H:30])([H:37])[H:38])([H:41])[H:42])[S+:16]([c:11]3[c:6]([c:7]([c:12]([c:8]([c:13]3[C:18]([H:34])([H:35])[H:36])[H:29])[C:17]([H:31])([H:32])[H:33])[H:28])[H:27])[O-:1])[H:26])[H:24]
[H:33][c:9]1[c:10]([c:16]([c:23]([c:20]([c:13]1[H:37])[C:5](=[O:1])[N:27]([H:45])[C:30]([H:46])([H:47])[H:48])[S+:29]([c:22]2[c:14]([c:12]([c:19]3[c:21]([c:15]2[H:39])[N:26]([N:4]=[C:6]3/[C:7](=[C:8](\[H:32])/[c:25]4[c:18]([c:11]([c:17]([c:24]([n+:28]4[O-:2])[H:43])[H:41])[H:35])[H:42])/[H:31])[H:44])[H:36])[H:38])[O-:3])[H:40])[H:34]
[H:26][c:12]1[c:10]([c:14]([c:11]([c:13]([c:15]1[S+:17]([C:18]([H:29])([H:30])/[C:9](=[C:8](\[H:22])/[C:7](=[C:6](\[H:20])/[C:5](=[O:1])[N:16]([H:28])[O:4][H:19])/[H:21])/[H:23])[O-:2])[H:27])[H:25])[Cl:3])[H:24]
[H:30][C@:13]1([C:10]([C:7]([C:6]([N:3]1[C:5]([H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:26])[H:27])[C@:12]2([C:9]([S@+:4]([C@@:11]([O:2]2)([H:28])[C:8]([H:21])([H:22])[H:23])[O-:1])([H:24])[H:25])[H:29]
[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1[C:7](=[O:1])[C:9]2=[N:5][O:6][C:8](=[O:2])[N:18]2/[C:11](=[C:10](/[H:22])\[S+:19]([C:21]([H:30])([H:31])[H:32])[O-:3])/[C:20]([H:27])([H:28])[H:29])[H:26])[H:24])[Br:4])[H:23]
[H:31][c:8]1[c:9]([c:15]([c:24]2[c:22]([c:13]1[H:36])[N:26]([c:23]3[c:14]([c:17]([c:10]([c:16]([c:25]3[S+:27]2[O-:2])[H:39])[H:33])[Cl:3])[H:37])[C:7](=[O:1])[c:21]4[c:11]([c:18]([c:20]([c:19]([c:12]4[H:35])[O:5][C:29]([H:43])([H:44])[H:45])[O:6][C:30]([H:46])([H:47])[H:48])[O:4][C:28]([H:40])([H:41])[H:42])[H:34])[H:38])[H:32]
[H:25][C@@:14]1([C@@:13]([C@:11]2([N:7]([C:6](=[O:1])[C:9]([S+:8]2[O-:2])([H:18])[H:19])[C:10]([C@@:12]1([H:23])[O:3][H:15])([H:20])[H:21])[H:22])([H:24])[O:4][H:16])[O:5][H:17]
[H:32][c:13]1[c:11]([c:17]([c:12]([c:14]([c:18]1[C:8](=[O:3])[C-:22](/[C:10](=[C:9](\[C:5]#[N:1])/[C:7](=[O:2])[O:6][C:28]([H:47])([H:48])[C:27]([H:44])([H:45])[H:46])/[H:29])[n+:24]2[c:20]([c:15]([c:19]([c:16]([c:21]2[H:37])[H:35])[N:23]([C:25]([H:38])([H:39])[H:40])[C:26]([H:41])([H:42])[H:43])[H:34])[H:36])[H:33])[H:31])[Br:4])[H:30]
[O:1]=[C:3]([N:16]([H:30])[H:31])[C:20]([S+:17]([O-:2])[C:21]([c:14]1[c:8]([H:26])[c:4]([H:22])[c:12]([C:18]([H:32])([H:33])[H:34])[c:5]([H:23])[c:9]1[H:27])([c:15]1[c:10]([H:28])[c:6]([H:24])[c:13]([C:19]([H:35])([H:36])[H:37])[c:7]([H:25])[c:11]1[H:29])[H:40])([H:38])[H:39]
[N:1]#[C:4][C:8]1=[C:10]([S+:18]([O-:3])[C:19]([H:31])([H:32])[H:33])[C:7]([H:25])=[C:9]([c:16]2[c:13]([H:28])[c:11]([H:26])[c:12]([H:27])[c:15]([O:5][C:22]([C:23]([C:24]([C:20]([H:34])([H:35])[H:36])([C:21]([H:37])([H:38])[H:39])[H:44])([H:42])[H:43])([H:40])[H:41])[c:14]2[H:29])[N:17]([H:30])[C:6]1=[O:2]
[H:17][C:9]([H:18])([H:19])[C:6](=[O:1])[N:7]([C:10]([H:20])([H:21])[H:22])[C:12]([H:25])([H:26])[C:13]([H:27])([H:28])[S+:8]([C:14]([H:29])([H:30])[C:16]([H:33])([H:34])[C:15]([H:31])([H:32])[C:11]([H:23])([H:24])[N:5]=[C:4]=[S:3])[O-:2]
[O:1]=[C:5]1[C:7]2=[C:8]([N:3]=[C:6]([N:16]3[C:22]([H:39])([H:40])[C:24]([H:43])([H:44])[N:17]([c:14]4[c:12]([H:30])[c:10]([H:28])[c:9]([H:27])[c:11]([H:29])[c:13]4[O:4][C:19]([H:32])([H:33])[H:34])[C:25]([H:45])([H:46])[C:23]3([H:41])[H:42])[N:15]1[H:31])[C:21]([H:37])([H:38])[C:26]([H:47])([H:48])[S+:18]([O-:2])[C:20]2([H:35])[H:36]
[O:1]=[C:5]1[C:6]([H:30])=[C:9]([C:8]2=[C:7]([H:31])[c:19]3[c:15]([H:37])[c:11]([H:33])[c:12]([H:34])[c:16]([H:38])[c:20]3[N:23]2[S:29](=[O:2])(=[O:3])[c:21]2[c:17]([H:39])[c:13]([H:35])[c:10]([H:32])[c:14]([H:36])[c:18]2[H:40])[S+:24]([O-:4])[N:22]1[C:28]([C:25]([H:41])([H:42])[H:43])([C:26]([H:44])([H:45])[H:46])[C:27]([H:47])([H:48])[H:49]
[H:15][c:6]1[c:7]([c:9]([c:11]([c:10]([c:8]1[H:17])[H:19])[C:5]2=[C:4]([C:3](=[O:1])[N:12]([S+:13]2[O-:2])[H:20])[H:14])[H:18])[H:16]
[H:27][c:9]1[c:10]([c:12]([c:17]([c:13]([c:11]1[H:29])[H:31])[c:18]2[c:14]([c:19]([c:16]([c:20]([c:15]2[H:33])[S:25](=[O:1])(=[O:2])[C:24]([H:39])([H:40])[H:41])[H:34])[S+:22]([C:8]3=[C:7]([N:4]=[C:6]([S:5]3)[C:23]([H:37])([H:38])[N:21]([H:35])[H:36])[H:26])[O-:3])[H:32])[H:30])[H:28]
[H:18][c:6]1[c:7]([c:9]([c:11]2[c:10]([c:8]1[H:20])[C:4](=[C:5]([S+:14]2[O-:2])[C@:16]([H:28])([C:15]([H:25])([H:26])[H:27])[N:13]([H:24])[C:3](=[O:1])[N:12]([H:22])[H:23])[H:17])[H:21])[H:19]
[H:27][c:16]1[c:21]([c:17]([c:19]([c:20]([c:18]1[Cl:9])[N:23]2[C:14](=[C:15]([C:13](=[N:12]2)[C:11]#[N:1])[S@@+:24]([C:26]([F:6])([F:7])[F:8])[O-:2])[N:22]([H:29])[H:30])[Cl:10])[H:28])[C:25]([F:3])([F:4])[F:5]
[H:6][C:4]([H:7])([H:8])[S:2][S+:3]([C:5]([H:9])([H:10])[H:11])[O-:1]
[O-:1][S+:16]1[c:12]2[c:8]([H:27])[c:4]([H:23])[c:2]([H:21])[c:6]([H:25])[c:10]2[N:14]([C:19]([C:20]([N:15]([C:17]([H:30])([H:31])[H:32])[H:29])([C:18]([H:33])([H:34])[H:35])[H:38])([H:36])[H:37])[c:11]2[c:7]([H:26])[c:3]([H:22])[c:5]([H:24])[c:9]([H:28])[c:13]21
[H:13][C:6]1=[C:4]([C:5](=[C:7]([C-:8]1[C:9]([H:15])([H:16])[C:3](=[O:1])[O:2][H:10])[H:14])[H:12])[H:11]

There are 20 remaining SMILES strings out of scope out of 202:
[O:1]=[P:4](=[O:2])[C:6]([C:7]([C:5]([N:3]([H:8])[H:9])([H:10])[H:11])([H:14])[H:15])([H:12])[H:13]
[H:25][c:6]1[c:7]([c:13]([c:19]([c:14]([c:8]1[H:27])[H:33])[O:1][P:24]23([O:2][c:20]4[c:15]([c:9]([c:10]([c:16]([c:21]4[O:3]2)[H:35])[H:29])[H:28])[H:34])[O:4][c:22]5[c:17]([c:11]([c:12]([c:18]([c:23]5[O:5]3)[H:37])[H:31])[H:30])[H:36])[H:32])[H:26]
[O:1]=[C:4]1[N:11]([c:10]2[c:8]([H:19])[c:6]([H:17])[c:5]([H:16])[c:7]([H:18])[c:9]2[H:20])[P:15]([F:2])([F:3])([C:14]([H:24])([H:25])[H:26])[N:12]1[C:13]([H:21])([H:22])[H:23]
[H:21][C:10]([H:22])([H:23])[C:12]([H:27])([H:28])[N:7]([C:13]([H:29])([H:30])[C:11]([H:24])([H:25])[H:26])[P:14]1([N:5]([C:4](=[O:1])[N:6]1[C:9]([H:18])([H:19])[H:20])[C:8]([H:15])([H:16])[H:17])([F:2])[F:3]
[H:6][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[P:3](=[S:1])=[S:2]
[P:4](=[S:1])(=[S:2])[Cl:3]
[H:18][C:3]1([C:8]([C:16]2([C:9]([C:4]([C:14]1([C:5]([C:10]2([H:32])[H:33])([H:22])[H:23])[H:40])([H:20])[H:21])([H:30])[H:31])/[N:1]=[N:2]\[C:17]34[C:11]([C:6]([C:15]([C:13]3([H:38])[H:39])([C:7]([C:12]4([H:36])[H:37])([H:26])[H:27])[H:41])([H:24])[H:25])([H:34])[H:35])([H:28])[H:29])[H:19]
[O:1]([C:23]([C:21]([H:41])([H:42])[H:43])([H:47])[H:48])[P:25]([O:2][C:24]([C:22]([H:44])([H:45])[H:46])([H:49])[H:50])([c:18]1[c:12]([H:35])[c:6]([H:29])[c:3]([H:26])[c:7]([H:30])[c:13]1[H:36])([c:19]1[c:14]([H:37])[c:8]([H:31])[c:4]([H:27])[c:9]([H:32])[c:15]1[H:38])[c:20]1[c:16]([H:39])[c:10]([H:33])[c:5]([H:28])[c:11]([H:34])[c:17]1[H:40]
[H:23][C:7]1=[C:5]([S:3][C:10](=[C:9]1[H:25])[C:11]2=[C:12]([C:8](=[C:6]([S:4]2)[H:22])[H:24])[S:20](=[N:2][C:16]([H:32])([H:33])[C:19]([H:38])([H:39])[N:13]([C:17]([H:34])([H:35])[C:14]([H:26])([H:27])[H:28])[C:18]([H:36])([H:37])[C:15]([H:29])([H:30])[H:31])(=[O:1])[H:40])[H:21]
[H:34][c:15]1[c:21]([c:16]([c:25]([c:30]([c:24]1[Br:6])[O:12][P:33]([O:13][c:31]2[c:26]([c:17]([c:22]([c:18]([c:27]2[Br:9])[H:37])[Br:4])[H:36])[Br:8])([O:14][c:32]3[c:28]([c:19]([c:23]([c:20]([c:29]3[Br:11])[H:39])[Br:5])[H:38])[Br:10])([Cl:1])[Cl:2])[Br:7])[H:35])[Br:3]
[C:8]([P:9]([Cl:4])([Cl:5])([Cl:6])[Cl:7])([Cl:1])([Cl:2])[Cl:3]
[H:22][c:2]1[c:5]([c:11]([c:17]([c:12]([c:6]1[H:26])[H:32])[P:21]([H:39])([c:18]2[c:13]([c:7]([c:3]([c:8]([c:14]2[H:34])[H:28])[H:23])[H:27])[H:33])([c:19]3[c:15]([c:9]([c:4]([c:10]([c:16]3[H:36])[H:30])[H:24])[H:29])[H:35])[C:20]([H:37])([H:38])[Br:1])[H:31])[H:25]
[H:20][C:10]([H:21])([H:22])[N:8]([C:6](=[S:3])[S:17]([H:38])([C:7](=[S:4])[N:9]([C:12]([H:26])([H:27])[H:28])[C:13]([H:29])([H:30])[H:31])[C:15]([H:34])([H:35])[C:14]([H:32])([H:33])[C:16]([H:36])([H:37])[S:18](=[O:1])(=[O:2])[O:5][H:19])[C:11]([H:23])([H:24])[H:25]
[O:1]=[C:7]([O:4][H:29])[c:22]1[c:16]([H:36])[c:10]([H:30])[c:13]([H:33])[c:19]([H:39])[c:25]1[P:28]12([O:5][C:8](=[O:2])[c:23]3[c:17]([H:37])[c:11]([H:31])[c:14]([H:34])[c:20]([H:40])[c:26]31)[O:6][C:9](=[O:3])[c:24]1[c:18]([H:38])[c:12]([H:32])[c:15]([H:35])[c:21]([H:41])[c:27]12
[H:28][C:12]1(/[C:7](=[N:2]\[O:3][C:6](=[O:1])[N:8]([H:18])[C:9]([H:19])([H:20])[H:21])/[S:16]([C:15]([O:4]1)([H:33])[C:14]([H:31])([H:32])[C:13]([H:29])([H:30])[C:11]([H:25])([H:26])[H:27])([H:34])[O:5][H:17])[C:10]([H:22])([H:23])[H:24]
[H:25][c:9]1[c:13]([c:19]([c:15]([c:17]([c:11]1[H:27])[Cl:1])[H:31])[N:21]2[P:23]([N:22]([P:24]2([Cl:6])([Cl:7])[Cl:8])[c:20]3[c:14]([c:10]([c:12]([c:18]([c:16]3[H:32])[Cl:2])[H:28])[H:26])[H:30])([Cl:3])([Cl:4])[Cl:5])[H:29]
[H:35][c:20]1[c:18]([c:22]([c:19]([c:21]([c:23]1[P:32]([O:14][C:28]([H:37])([H:38])[C:24]([F:1])([F:2])[F:3])([O:15][C:29]([H:39])([H:40])[C:25]([F:4])([F:5])[F:6])([O:16][C:30]([H:41])([H:42])[C:26]([F:7])([F:8])[F:9])[O:17][C:31]([H:43])([H:44])[C:27]([F:10])([F:11])[F:12])[H:36])[H:34])[Cl:13])[H:33]
[H:33][c:12]1[c:14]([c:20]([c:17]2[c:18]([c:13]1[H:34])[S:9][C:10](=[N:7]2)[N:24]([H:38])[H:39])[c:21]3[c:15]([c:16]([c:23]([c:22]([c:19]3[C:11]4=[N:8][N:5]=[N:6][N:25]4[H:40])[S:31](=[O:1])(=[O:2])[H:48])[S:32](=[O:3])(=[O:4])[N:27]([H:43])[C@:30]5([C@:29]([C:28]5([H:44])[H:45])([H:46])[N:26]([H:41])[H:42])[H:47])[H:37])[H:36])[H:35]
[O:1]=[S:27](=[O:2])([N:26]([c:25]1[c:19]([H:40])[c:12]([H:33])[c:17]([H:38])[c:24](-[c:23]2[c:16]([H:37])[c:11]([H:32])[c:15]([H:36])[c:22]([C:7]3=[C:6]([H:28])[S:4][C:5]([c:21]4[c:13]([H:34])[c:9]([H:30])[c:8]([H:29])[c:10]([H:31])[c:14]4[H:35])=[N:3]3)[c:18]2[H:39])[c:20]1[H:41])[H:42])[H:43]
[H:25][c:9]1[c:10]([c:15]([c:20]2[c:18]([c:13]1[H:29])/[C:8](=[C:7](/[H:24])\[O:3][H:23])/[C:6](=[C:5]/3\[c:17]4[c:12]([c:11]([c:16]([c:14]([c:19]4[N:21]([C:4]3=[O:1])[H:32])[H:30])[Br:2])[H:27])[H:28])/[N:22]2[H:33])[H:31])[H:26]