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1.6... |
[H:18][c:17]1[c:16]2[c:15]3[c:14]([c:13]([c:12]1[N:11]([H:38])[C:9](=[O:10])[C:7](=[O:8])[N:6]([H:39])[C:5]([H:40])([H:41])[C:4]([H:42])([H:43])[O:3][C:1]([H:2])([H:44])[H:45])[H:37])[C:26]([C:25]([C:24]([N:23]3[C:21](=[O:22])[C:20]([C:19]2([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28] | [
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-706392.75
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[H:12][c:9]1[c:8]([c:7]([c:6]([c:5]([c:10]1[H:11])[O:4][C:1]([H:2])([H:3])[H:45])[H:44])[C:14]([H:42])([H:43])[N:15]([C:16]([H:17])([H:18])[H:19])[C:20]([H:40])([H:41])[C:21](=[O:22])[N:23]([H:39])[C:24](=[O:25])[N:26]([H:27])[C:28]([H:37])([H:38])[C:29]2=[C:30]([C:31](=[C:32]([O:33]2)[H:34])[H:35])[H:36])[H:13] | [
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[H:28][c:9]1[c:8]([c:7]([c:6]([c:11]([c:10]1[O:20][C:21]([H:26])([H:27])[C:22]([H:23])([H:24])[H:25])[O:12][C:13]([H:18])([H:19])[C:14]([H:15])([H:16])[H:17])[O:5][C:2]([H:3])([H:4])[C:1]([H:43])([H:44])[H:45])[H:42])[C:29](=[O:30])[N:31]([H:41])[c:32]2[c:37]([n:36][c:35]([c:34]([n:33]2)[H:40])[H:39])[H:38] | [
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0.... | [
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] | [
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103.121... |
[H:11][c:8]1[c:9]([c:4]([c:5]([c:6]([c:7]1[C:12]2=[N:13][O:14][C:15](=[N:16]2)[C:17]([H:40])([H:41])[C:18]([H:38])([H:39])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:25])[C@:26]3([C:27]([C:29]([C:31]([O:33]3)([H:32])[H:34])([H:30])[H:35])([H:28])[H:36])[H:37])[H:42])[H:43])[O:3][C:1]([H:2])([H:44])[H:45])[H:10] | [
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1.3018590211868286,... | [
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[H:28][c:25]1[c:26]([c:21]([c:22]([c:23]([c:24]1[H:29])[O:30][C:31]([H:32])([H:33])[H:34])[H:35])[C:14]2=[N:13][N:12]([C:17](=[O:18])[C:16](=[C:15]2[H:20])[H:19])[C:11]([H:36])([H:37])[C:9](=[O:10])[N:8]([H:38])[C:7]([H:39])([H:40])[C:4]([H:5])([H:6])[C:3]([H:41])([H:42])[O:2][C:1]([H:43])([H:44])[H:45])[H:27] | [
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-0.... | [
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] | [
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[H:11][c:8]1[c:9]([c:4]([c:5]([c:6]([c:7]1[C:12]2=[N:13][O:14][C:15](=[N:16]2)[C:17]([H:18])([H:19])[C:20]([H:40])([H:41])[C:21]([H:38])([H:39])[C:22](=[O:23])[N:24]3[C:31]([C:29]([O:28][C:27]([C:25]3([H:26])[H:37])([H:35])[H:36])([H:30])[H:34])([H:32])[H:33])[H:42])[H:43])[O:3][C:1]([H:2])([H:44])[H:45])[H:10] | [
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... | [
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1.49117708... |
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