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[H:34][c:17]1[c:18]([c:19]([c:20]([c:21]([c:16]1[N:15]([H:35])[C:13](=[O:14])[N:12]([C@:11]2([c:8]3[c:9]([c:4]([c:5]([c:6]([c:7]3[O:68][C:59]([C:56]2([H:57])[H:58])([C:60]([H:61])([H:62])[H:63])[C:64]([H:65])([H:66])[H:67])[H:70])[H:71])[O:3][C:2]([H:72])([H:73])[C:1]([H:74])([H:75])[H:76])[H:10])[H:69])[C:36]([H:37])(... | [
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[H:40][c:36]1[c:35]([c:34]([c:33]2[c:38]([c:37]1[H:39])-[c:26]3[c:25]([c:24]([c:29]([c:28]([c:27]3[N:32]2[C:43]([H:48])([H:49])[C:44]([H:45])([H:46])[H:47])[H:31])[H:30])[N:23]([H:51])[C:21](=[O:22])[C:20]([H:52])([H:53])[S:19][C:7]4=[N:8][N:9]=[C:10]([N:6]4[C:5]([H:54])([H:55])[C:1]([H:2])([H:3])[H:4])[C:11]5=[C:12]([... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H:40][c:36]1[c:35]([c:34]([c:33]2[c:38]([c:37]1[H:39])-[c:26]3[c:25]([c:24]([c:29]([c:28]([c:27]3[N:32]2[C:43]([H:48])([H:49])[C:44]([H:45])([H:46])[H:47])[H:31])[H:30])[N:23]([H:51])[C:21](=[O:22])[C:20]([H:52])([H:53])[S:19][C:7]4=[N:8][N:9]=[C:10]([N:6]4[C:5]([H:54])([H:55])[C:1]([H:2])([H:3])[H:4])[C:11]5=[C:12]([... | [
2.027791976928711,
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[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
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[H+:38].[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22](/[C:21](=[S+:24]/[C:25](=[C:26](/[N:28]([H:37])[C:29]3([C:31]([C:30]3([H:34])[H:35])([H:32])[H:33])[H:36])\[O-:27])/[H:39])/[C:20](=[C:40]=[N-:41])[C@@:19]2([H:52])[c:42]4[c:47]([c:46]([n:45][c:44]([c:43]4[H... | [
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[H:34][c:17]1[c:18]([c:19]([c:20]([c:21]([c:16]1[N:15]([H:35])[C:13](=[O:14])[N:12]([C@:11]2([c:8]3[c:9]([c:4]([c:5]([c:6]([c:7]3[O:68][C:59]([C:56]2([H:57])[H:58])([C:60]([H:61])([H:62])[H:63])[C:64]([H:65])([H:66])[H:67])[H:70])[H:71])[O:3][C:2]([H:72])([H:73])[C:1]([H:74])([H:75])[H:76])[H:10])[H:69])[C:36]([H:37])(... | [
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180.0619812... |
[H:31][c:25]1[c:26]([c:27]([c:28]2[c:23]([c:24]1[H:32])[c:22]([c:21]([c:20]([c:19]2[N:10]([C:11](=[O:12])[C:13]3=[C:14]([S:15][N:16]=[N:17]3)[H:18])[C@@:9]([H:46])([c:36]4[c:41]([c:40]([n:39][c:38]([c:37]4[H:45])[H:44])[H:43])[H:42])[C:7](=[O:8])[N:6]([H:47])[C:5]([C:1]([H:2])([H:3])[H:4])([C:48]([H:49])([H:50])[H:51])... | [
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[H:40][c:36]1[c:35]([c:34]([c:33]2[c:38]([c:37]1[H:39])-[c:26]3[c:25]([c:24]([c:29]([c:28]([c:27]3[N:32]2[C:43]([H:48])([H:49])[C:44]([H:45])([H:46])[H:47])[H:31])[H:30])[N:23]([H:51])[C:21](=[O:22])[C:20]([H:52])([H:53])[S:19][C:7]4=[N:8][N:9]=[C:10]([N:6]4[C:5]([H:54])([H:55])[C:1]([H:2])([H:3])[H:4])[C:11]5=[C:12]([... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H+:25].[H+:38].[H:34][c:17]1[c:18]([c:19]([c:20]([c:21]([c:16]1[N:15]([H:35])[C:13](=[O:14])[N:12]([C-:36]([H:37])[C:39]([H:54])([H:55])[N:40]2[C:46]([C:45]([O:44][C:42]([C:41]2([H:52])[H:53])([H:43])[H:51])([H:49])[H:50])([H:47])[H:48])[C@:11]3([c:8]4[c:9]([c:4]([c:5]([c:6]([c:7]4[O:68][C:59]([C:56]3([H:57])[H:58])([... | [
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[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
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[H+:26].[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C-:25]=[N:24]2)[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:34][c:17]1[c:18]([c:19]([c:20]([c:21]([c:16]1[N:15]([H:35])[C:13](=[O:14])[N:12]([C@:11]2([c:8]3[c:9]([c:4]([c:5]([c:6]([c:7]3[O:68][C:59]([C:56]2([H:57])[H:58])([C:60]([H:61])([H:62])[H:63])[C:64]([H:65])([H:66])[H:67])[H:70])[H:71])[O:3][C:2]([H:72])([H:73])[C:1]([H:74])([H:75])[H:76])[H:10])[H:69])[C:36]([H:37])(... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
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[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:40][c:36]1[c:35]([c:34]([c:33]2[c:38]([c:37]1[H:39])-[c:26]3[c:25]([c:24]([c:29]([c:28]([c:27]3[N:32]2[C:43]([H:48])([H:49])[C:44]([H:45])([H:46])[H:47])[H:31])[H:30])[N:23]([H:51])[C:21](=[O:22])[C:20]([H:52])([H:53])[S:19][C:7]4=[N:8][N:9]=[C:10]([N:6]4[C:5]([H:54])([H:55])[C:1]([H:2])([H:3])[H:4])[C:11]5=[C:12]([... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:23]2[C:22](=[C:21]([C:25](=[N:24]2)[H:26])[C:20]([H:47])([H:48])[S:19][C:16]([H:17])([H:18])[C:14](=[O:15])[N:13]([H:49])[c:8]3[c:9]([c:10]([c:5]([c:6]([c:7]3[H:50])[H:51])[N:4]([H:52])[C:2](=[O:3])[C:1]([H:53])([H:54])[H:55])[H:11])[H:12])[N:38]4[C:42](=... | [
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[H:31][c:25]1[c:26]([c:27]([c:28]2[c:23]([c:24]1[H:32])[c:22]([c:21]([c:20]([c:19]2[N:10]([C:11](=[O:12])[C:13]3=[C:14]([S:15][N:16]=[N:17]3)[H:18])[C@@:9]([H:46])([c:36]4[c:41]([c:40]([n:39][c:38]([c:37]4[H:45])[H:44])[H:43])[H:42])[C:7](=[O:8])[N:6]([H:47])[C:5]([C:1]([H:2])([H:3])[H:4])([C:48]([H:49])([H:50])[H:51])... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
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[H+:37].[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N+:23]#[N+:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C@@:45]([H:46])([C-:47]([H:48])[H:49])[C:53]([H:54])([H:55])[C-:50]([H:51])[H:52])[H:10])[H:11])[C:31]([H:40])([H:... | [
-4.102859020233154,
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... | [
-1098064.375
] | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
-0.4485050141811371,
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-0.11766599863767624,
... | [
-1098653.25
] | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
-0.8212980031967163,
-0.8924670219421387,
3.354228973388672,
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-0.7774230241775513,
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2.7... | [
-1098652.125
] | [
0.6216370463371277,
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3.40... |
[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
-2.64695405960083,
-0.07576800137758255,
-2.186065912246704,
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-0.12469899654388428,
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1.9917550086975098,
0.036219000816345215,
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... | [
-1098652.625
] | [
0.413154274225235,
0.06519880890846252,
1.566680669784546,
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
0.6836519837379456,
3.944262981414795,
-0.5544270277023315,
0.15795299410820007,
2.558561086654663,
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0.8788610100746155,
1.4513349533081055,
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2.364629030227661,
1.487313985824585,
-0.06409499794244766,
3.030181884765625,
2.2991950511932373,
-0.68... | [
-1098648.375
] | [
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0.5902234315872192,
1.0371167659759521,
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3.583566665649414,
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-0.11805322766304016,
-3.3164129... |
[H:40][c:36]1[c:35]([c:34]([c:33]2[c:38]([c:37]1[H:39])-[c:26]3[c:25]([c:24]([c:29]([c:28]([c:27]3[N:32]2[C:43]([H:48])([H:49])[C:44]([H:45])([H:46])[H:47])[H:31])[H:30])[N:23]([H:51])[C:21](=[O:22])[C:20]([H:52])([H:53])[S:19][C:7]4=[N:8][N:9]=[C:10]([N:6]4[C:5]([H:54])([H:55])[C:1]([H:2])([H:3])[H:4])[C:11]5=[C:12]([... | [
-2.0867209434509277,
0.2989720106124878,
-2.524182081222534,
-2.251847982406616,
0.42516401410102844,
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... | [
-1098674.875
] | [
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-17.... |
[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
0.24967899918556213,
1.2575370073318481,
-2.4056499004364014,
-0.2763209939002991,
0.3136880099773407,
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1.5056580305099487,
0.7189019918441772,
0.3334830105304718,
1.4607210159301758,
1.3787239789962769,
... | [
-1098650.125
] | [
-1.4560364484786987,
1.1763724088668823,
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-2.37656569480896,
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6.3835425376... |
[H:31][c:25]1[c:26]([c:27]([c:28]2[c:23]([c:24]1[H:32])[c:22]([c:21]([c:20]([c:19]2[N:10]([C:11](=[O:12])[C:13]3=[C:14]([S:15][N:16]=[N:17]3)[H:18])[C@@:9]([H:46])([c:36]4[c:41]([c:40]([n:39][c:38]([c:37]4[H:45])[H:44])[H:43])[H:42])[C:7](=[O:8])[N:6]([H:47])[C:5]([C:1]([H:2])([H:3])[H:4])([C:48]([H:49])([H:50])[H:51])... | [
-4.531458854675293,
-0.955627977848053,
1.8751749992370605,
-4.46589994430542,
-0.45873400568962097,
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1.540... | [
-1098662.25
] | [
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-7.015237808227539,
-2.104448080062866,
-2.... |
[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
-3.1457459926605225,
-1.207108974456787,
-1.405521035194397,
-3.3416080474853516,
-1.0753220319747925,
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-0.5480530261993408,
0.5516970157623291,
-0.4896619915962219,
-0.9141579866409302,
-0... | [
-1098059.75
] | [
70.59498596191406,
-43.23586654663086,
-280.432861328125,
-125.4471435546875,
54.84770202636719,
228.42398071289062,
-244.4167938232422,
-64.15546417236328,
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-18.363000869750977,
-63.53286361694336,
52.24906921386719,
90.40026092529297,
212.3696289062... |
[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
-4.1413187980651855,
-0.14092899858951569,
-1.419998049736023,
-4.0098490715026855,
0.6149740219116211,
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-0.45462900400161743,
-0.4475550055503845,
1.161952018737793,... | [
-1098646
] | [
-0.5151028633117676,
-5.280910491943359,
-6.846033096313477,
-2.6810879707336426,
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-2.9808895587921143,
-5.145843029022217,
-2.467775344848633,
-0.2983158230781555,
-4.2181... |
[H:26][c:20]1[c:19]([c:18]([c:17]2[c:22]([c:21]1[H:25])[N:23]=[N:24][N:16]2[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]([c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:42])[H:43])[N:3]([H:44])[C:2](=[O:1])[C:45]4([C:47]([C:50]([C:53]4([H:54])[H:55])([H:51])[H:52])([H:48])[H:49])[H:46])[H:10])[H:11])[C:31]([H:40])([H:41])[C:32]5=... | [
-2.6494410037994385,
-2.2821969985961914,
-1.7119959592819214,
-3.092708110809326,
-1.894163966178894,
-0.7975959777832031,
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-1.2487930059432983,
-0.7934809923171997,
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-0.36781901121139526,
-1.0795220136642456... | [
-1098053.125
] | [
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-120.49297332763672,
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-194.70077514648438,
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-30.0106143951416,
99.05025482177734,
151.14950561523438,
283.0610656738... |
[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[N:6]([H:18])[C:4](=[O:5])[C:3]2=[C:2]([N:22]([C:21](=[C:20]([C@@:19]2([H:52])[c:42]3[c:47]([c:46]([n:45][c:44]([c:43]3[H:51])[H:50])[H:49])[H:48])[C:40]#[N:41])[S:24][C:25]([H:38])([H:39])[C:26](=[O:27])[N:28]([H:37])[C:29]4([C:31]([C:30]4([H:34])[H:35])([H:32... | [
-0.12425299733877182,
-1.5422329902648926,
-2.738123893737793,
-0.6724209785461426,
-0.9070850014686584,
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-2.0905449390411377,
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0.3966369926929474,
-3.183890104293823... | [
-1098070.125
] | [
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-28.361425399780273,
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-99.6932144165039,
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-13.189506530761719,
51.61400604248047,
-20.129074096... |
[H+:38].[H:17]/[C-:8]=[C:9](\[H:16])/[C:10](=[C:11](/[H:14])\[C:12](=[C:7]=[N+:6]([H:18])[C:4](=[O:5])[C:3]1=[C:2]([N:22](/[C:21](=[S+:24]/[C:25](=[C:26](/[N:28]([H:37])[C:29]2([C:31]([C:30]2([H:34])[H:35])([H:32])[H:33])[H:36])\[O-:27])/[H:39])/[C:20](=[C:40]=[N-:41])[C@@:19]1([H:52])[c:42]3[c:47]([c:46]([n:45][c:44](... | [
-0.942658007144928,
-1.2227129936218262,
-2.602617025375366,
-0.1943189948797226,
-0.34622400999069214,
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-1.8110350370407104,
-0.913968026638031,
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-1.7311370372772217,
-1.647266983985900... | [
-1098028.25
] | [
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-18.058948516845703,
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-146.34642028808594,
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[H:16][c:13]1[c:14]([c:9]([c:10]([c:11]([c:12]1[F:17])[H:18])[H:19])[S:6](=[O:7])(=[O:8])[N:4]([H:5])[N:3]([H:20])[C:2](=[O:1])[C:21]2=[C:22]([C:32](=[C:33]([S:34]2)[H:35])[H:36])[N:23]3[C:27](=[C:26]([C:25](=[C:24]3[H:31])[H:30])[H:29])[H:28])[H:15] | [
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[H:16][c:13]1[c:14]([c:9]([c:10]([c:11]([c:12]1[F:17])[H:18])[H:19])[S:6](=[O:7])(=[O:8])[N:4]([H:5])[N:3]([H:20])[C:2](=[O:1])[C:21]2=[C:22]([C:32](=[C:33]([S:34]2)[H:35])[H:36])[N:23]3[C:27](=[C:26]([C:25](=[C:24]3[H:31])[H:30])[H:29])[H:28])[H:15] | [
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