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[H:12][c:7]1[c:8]([c:9]([c:4]([c:5]([c:6]1[H:13])[H:14])/[C:3](=[C:2](/[C:16](=[C:17]\2/[C:18](=[O:19])[N:20]([C:21](=[S:22])[S:23]2)[N:24]([H:25])[S:26](=[O:27])(=[O:28])[c:29]3[c:34]([c:33]([c:32]([c:31]([c:30]3[H:39])[H:38])[H:37])[H:36])[H:35])/[H:40])\[C:1]([H:41])([H:42])[H:43])/[H:15])[H:10])[H:11] | [
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[H:14][c:13]1[c:8]([c:9]([c:10]([c:11]([c:12]1[O:15][C:16]([H:21])([H:22])[C:17]([H:18])([H:19])[H:20])[O:23][C:24]([H:30])([H:31])[C:25](=[O:26])[N:27]([H:28])[H:29])[H:32])[Br:33])[C:7]([H:34])([H:35])[N:5]([H:6])[C:4]([H:36])([H:37])[C:3]([H:38])([H:39])[C:2]([H:40])([H:41])[C:1]([H:42])([H:43])[H:44] | [
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8.565511703491211,
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0.7280988693237305,
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5.408863067626953,
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3.7323017120... |
[H+:36].[H:25][c:20]1[c:21]([c:22]([c:17]([c:18]([c:19]1[C:26]([F:27])([F:28])[F:29])[H:30])[C:16]2=[C:15]([C:14](=[C-:13][O:31]2)[H:33])[H:32])[Cl:23])[H:24].[H:37]/[C:5](=[C:6]/1\[N-:7][N:8]=[C:9]([S:35]1)[N:10]([H:34])[C:11]#[O+:12])/[C:1]([H:2])([H:3])[H:4] | [
0.869737982749939,
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2.9934189319610596,
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-1310420.25
] | [
3.7733559608459473,
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44.36924362182617,
108.9284439086914,
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131.01950073242188,
151.42736816... |
[H:38][c:8]1[c:7]([c:6]([c:11]([c:10]([c:9]1[H:37])[O:13][C:14]([H:35])([H:36])[C:15]([H:16])([H:17])[O:18][C:19]([H:20])([H:21])[C:22]([H:33])([H:34])[N+:23]([H:32])([C:24]([H:25])([H:26])[H:27])[C:28]([H:29])([H:30])[H:31])[H:12])[O:5][C:2]([H:3])([H:4])[C:1]([H:40])([H:41])[H:42])[H:39] | [
3.7213358879089355,
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1.7418270111083984,
0.363756000995636,
4.091884136199951,
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-0.0534... | [
-519278.375
] | [
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28.595563888549805,
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2.7663865089416504,
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13.413651466369629,
86.18887329101562,
39.15650... |
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