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3.5732... |
[H:23][c:22]1[c:21]([c:20]([c:19]([c:18]([c:17]1[N:16]([H:28])[C:2](=[O:1])[N:3]([H:4])[C:5]([H:14])([H:15])[C:6]2=[C:7]([C:8](=[C:9]([S:10]2)[H:11])[H:12])[H:13])[H:27])[H:26])[Cl:25])[H:24] | [
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[H:25][c:6]1[c:5]([c:4]([c:9]([c:8]([c:7]1[C:12]2=[C:13]([S:14][C:15]3=[N:16][C:17]([C:20]([N:21]23)([H:22])[H:23])([H:18])[H:19])[H:24])[H:11])[Cl:10])[O:3][C:1]([H:2])([H:27])[H:28])[H:26] | [
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[H:22][c:21]1[c:20]([c:19]([c:18]([c:17]([c:16]1[C:15]([H:27])([H:28])[N:10]2[C:11](=[C:12]([C:6](=[N:7][C:8]2=[O:9])[S:5][C:1]([H:2])([H:3])[H:4])[H:13])[H:14])[H:26])[H:25])[Cl:24])[H:23] | [
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[H:19][c:12]1[c:13]([c:14]([c:15]([c:10]([c:11]1[H:20])[C:9]([H:21])([H:22])[C:7](=[O:8])[N:6]([H:23])[C:5]2=[N:4][C:3](=[C:2]([S:24]2)[C:1]([H:26])([H:27])[H:28])[H:25])[Cl:16])[H:17])[H:18] | [
3.8585140705108643,
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[H+:13].[H:27][C-:4]1[C:3](=[C:2]([C:7](=[C:6]([C:5]1=[O:10])[H:9])[H:8])[Cl:1])[H:28].[H:23][C:19]1=[C:18]([N-:17][C:16](=[S+:15][C:12](=[C:11]([H:25])[H:26])[H:14])[N:21]=[C:20]1[H:22])[H:24] | [
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0.... | [
-945464.375
] | [
57.30002975463867,
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179.82888793945312,
29.01973724... |
[H:25][c:3]1[c:2]([c:7]2[c:6]([c:5]([c:4]1[Cl:24])[H:23])[S:22][C:9](=[N:8]2)[N:10]([H:21])[C:11](=[O:12])[C:13]3([C:16]([C:15]3([H:19])[H:20])([H:17])[H:18])[H:14])[C:1]([H:26])([H:27])[H:28] | [
1.4795260429382324,
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[H+:9].[H:19][c:14]1[c:15]([c:16]([c:11]([c:12]([c:13]1[H:20])[H:21])/[S+:10]=[C:7](\[H:8])/[C:5]\2=[N:6][N:2]([C-:3](/[C:4]2=[C:22](\[H:24])/[O-:23])[Cl:25])[C:1]([H:26])([H:27])[H:28])[H:17])[H:18] | [
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[H:25][c:3]1[c:4]([c:5]([c:6]([c:7]([c:2]1[C:1]([H:26])([H:27])[H:28])[N:8]([H:21])[C:9](=[O:10])[N:11]([H:20])[C:12]2=[C:13]([C:14](=[C:15]([S:16]2)[H:17])[H:18])[H:19])[H:22])[Cl:23])[H:24] | [
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