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[H:31][C:9]1=[N:3][C:12]2=[C:13]([N:4]=[C:10]([N:16]([C:11]2=[N:5]1)[C:24]([H:53])([H:54])[C:25]([H:55])([H:56])[C:27]([H:59])([H:60])[C@:28]3([C:26]([C:22]([O:6][C:23]3([H:51])[H:52])([H:49])[H:50])([H:57])[H:58])[H:61])[H:32])[N:14]([H:33])[H:34].[H:63][C@@:30]([C:8](=[O:2])[N:15]([H:35])[C:19]([H:40])([H:41])[H:42])... | [
0.20611999928951263,
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-872842.625
] | [
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[H:21][c:3]1[c:2]([c:4]2[c:6]([n+:7]([c:5]1[H:22])[C:10]([H:28])([H:29])[C:11]([H:30])([H:31])[C:8]([H:23])([H:24])[H:25])[C:9]([C:15]([C@:18]3([C@:17]2([C:14]([C:12]([C:13]([C@:16]3([H:40])[O:1][H:19])([H:34])[H:35])([H:32])[H:33])([H:36])[H:37])[H:41])[H:42])([H:38])[H:39])([H:26])[H:27])[H:20].[H:44][O:43][H:45].[H:... | [
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-1432287
] | [
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[H:27][c:12]1[c:14]([c:17]2[c:16]([c:13]([c:15]1[F:4])[H:28])[N:5]=[C:11]([S:7]2)[N:18]([H:30])[C:8](=[O:1])[C:21]([H:33])([H:34])[H:35])[H:29].[H:44][C@@:25]([C:10](=[O:3])[N:19]([H:31])[C:23]([H:39])([H:40])[H:41])([C:24]([H:42])([H:43])[O:6][H:26])[N:20]([H:32])[C:9](=[O:2])[C:22]([H:36])([H:37])[H:38] | [
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-0.439... | [
-1004695.1875
] | [
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[H:31][C:9]1=[N:3][C:12]2=[C:13]([N:4]=[C:10]([N:16]([C:11]2=[N:5]1)[C:24]([H:53])([H:54])[C:25]([H:55])([H:56])[C:27]([H:59])([H:60])[C@:28]3([C:26]([C:22]([O:6][C:23]3([H:51])[H:52])([H:49])[H:50])([H:57])[H:58])[H:61])[H:32])[N:14]([H:33])[H:34].[H:63][C@@:30]([C:8](=[O:2])[N:15]([H:35])[C:19]([H:40])([H:41])[H:42])... | [
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0.7745620... | [
-872844.0625
] | [
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[H:35][c:16]1[c:18]([c:21]2[c:20]([c:19]([c:17]1[H:36])[F:6])[C:15](=[C:14]([N:22]2[H:38])[H:34])[C@:31]([H:55])([C@:30]3([C:10](=[O:2])[N:7]=[C:13]([O:8]3)[N:24]([H:40])[C:28]([H:48])([H:49])[H:50])[H:54])[C:29]([H:51])([H:52])[H:53])[H:37].[H:58][C@@:33]([C:12](=[O:4])[N:23]([H:39])[C:27]([H:45])([H:46])[H:47])([C:32... | [
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1.557... | [
-1029434.25
] | [
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[H:32][c:17]1[c:18]([n:9][c:20]2[c:19]([n:8]1)[C:10](=[O:1])[N:7]=[C:14]([N:23]2[H:36])[N:21]([H:33])[H:34])[C:11](=[O:2])[N:26]([H:39])[C:30]([H:48])([H:49])[C:16]3=[C:15]([N:5]=[N:6][N:22]3[H:35])[H:31].[H:40][C:27]([H:41])([H:42])[C:12](=[O:3])[N:25]([H:38])[C:29]([H:46])([H:47])[C:13](=[O:4])[N:24]([H:37])[C:28]([H... | [
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-4.7673... | [
-932688.5
] | [
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