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[H:29][C:12]1=[C:11]([O:6][C:15](=[C:13]1[H:30])[C:10]2=[N:4][N:17]([C:16](=[C:14]2[H:31])[C:7](=[O:1])[O:5][H:27])[H:32])[H:28].[H:50][C@@:26]([C:9](=[O:3])[N:18]([H:33])[C:21]([H:38])([H:39])[H:40])([C:25]([H:48])([H:49])[C:24]([H:47])([C:22]([H:41])([H:42])[H:43])[C:23]([H:44])([H:45])[H:46])[N:19]([H:34])[C:8](=[O:... | [
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3.4304289817810... | [
-2310375
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[H:30][c:12]1[c:10]([c:14]([c:11]([c:13]([c:15]1[C:23]([H:45])([H:46])[C@:25]([H:49])([C:8](=[O:3])[N:17]([H:34])[C:21]([H:40])([H:41])[H:42])[N:18]([H:35])[C:9](=[O:4])[C@@:26]([H:50])([C:24]([H:47])([H:48])[C:22]([H:43])([H:44])[C:7](=[O:2])[N:16]([H:32])[H:33])[N:19]([H:36])[C:6](=[O:1])[C:20]([H:37])([H:38])[H:39])... | [
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6.0... | [
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[H:31][c:12]1[c:11]([c:17]2[c:18]([c:13]([c:19]1[C:8]3=[C:7]([C:5](=[N:2][N:21]3[c:20]4[c:14]([c:9]([c:16]([c:10]([c:15]4[H:34])[H:29])[Cl:1])[H:28])[H:33])[H:26])[H:27])[H:32])[S:4][C:6](=[N:3]2)[N:22]([H:35])[C:25]([H:42])([C:23]([H:36])([H:37])[H:38])[C:24]([H:39])([H:40])[H:41])[H:30] | [
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[H:31][c:12]1[c:11]([c:17]2[c:18]([c:13]([c:19]1[C:8]3=[C:7]([C:5](=[N:2][N:21]3[c:20]4[c:14]([c:9]([c:16]([c:10]([c:15]4[H:34])[H:29])[Cl:1])[H:28])[H:33])[H:26])[H:27])[H:32])[S:4][C:6](=[N:3]2)[N:22]([H:35])[C:25]([H:42])([C:23]([H:36])([H:37])[H:38])[C:24]([H:39])([H:40])[H:41])[H:30] | [
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-1136817.875
] | [
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20.19433... |
[H:8][c:2]1[c:3]([c:5]([c:7]([c:6]([c:4]1[H:10])[H:12])[Br:1])[H:11])[H:9].[H:17][C:15]([H:18])([H:19])[S:13][S:14][C:16]([H:20])([H:21])[H:22] | [
0.8307899832725525,
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3.315479040145874,
3.4304289817810... | [
-2310379
] | [
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1.9533... |
[H:30][c:12]1[c:10]([c:14]([c:11]([c:13]([c:15]1[C:23]([H:45])([H:46])[C@:25]([H:49])([C:8](=[O:3])[N:19]([H:36])[C@@:26]([H:50])([C:9](=[O:4])[N:17]([H:34])[C:21]([H:40])([H:41])[H:42])[C:24]([H:47])([H:48])[C:22]([H:43])([H:44])[C:7](=[O:2])[N:16]([H:32])[H:33])[N:18]([H:35])[C:6](=[O:1])[C:20]([H:37])([H:38])[H:39])... | [
0.5895169973373413,
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-2.3372... | [
-789099.5
] | [
9.279399871826172,
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8.034950256347656,
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-5.9180212... |
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