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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
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[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:2])[O-:1])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42]... | [
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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:1])[O-:2])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41... | [
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[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:1])[O-:2])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41]... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
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[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:1])[O-:2])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41]... | [
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[H:29][c:7]1[c:8]([c:10]([c:16]([c:11]([c:9]1[H:31])[H:33])[O:4][c:17]2[c:12]([c:14]([c:18]([c:15]([c:13]2[H:35])[H:37])[S:27](=[O:2])(=[O:3])[N:21]([C@@:26]3([C@@:25]([C:23]([N:20]([C:24]3([H:45])[H:46])[C:6](=[O:1])[N:19]([H:38])[H:39])([H:43])[H:44])([H:47])[S:5][H:28])[H:48])[C:22]([H:40])([H:41])[H:42])[H:36])[H:3... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42]... | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
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[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:2])[O-:1])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41... | [
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1.55674... | [
-1229853.75
] | [
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[H:32][c:16]1[c:15]([c:17]([c:19]2[c:20]([c:18]1[H:34])[C:13](=[C:12]([S:7]2)[C:10]3=[N:3][C:14](=[C:11]([S:6]3)[H:30])[C:24]([H:40])([H:41])[H:42])[O:4][H:28])[H:33])[H:31].[H:48][C@@:27]([C:9](=[O:2])[N:21]([H:35])[C:25]([H:43])([H:44])[H:45])([C:26]([H:46])([H:47])[O:5][H:29])[N:22]([H:36])[C:8](=[O:1])[C:23]([H:37]... | [
3.3289480209350586,
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-0.239816... | [
-1230023.875
] | [
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[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
1.7897130250930786,
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] | [
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26.621... |
[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42]... | [
2.4339020252227783,
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-1229939.875
] | [
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9.5041360... |
[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:1])[O-:2])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41]... | [
-3.864180088043213,
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2.5383830070495605,
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1.5967459678649902,
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2.177495002746582,
1.206913948059082,
-2.01702094... | [
-1229836
] | [
31.22215461730957,
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16.847917556762695,
16.566469192504883,
55.139526... |
[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:1])[O-:2])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41]... | [
-1.4011470079421997,
-2.6314809322357178,
3.823513984680176,
0.24616800248622894,
-2.082737922668457,
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-1.6684139966964722,
1.299685001373291,
2.41371488571167,
1.3562990... | [
-1229830
] | [
2.540283679962158,
-0.955838143825531,
-13.37863826751709,
-4.716242790222168,
-4.035501956939697,
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-17.20387840270996,
-72.41737365722656,
25.68252944946289,
-27.317453384399414,
-15.371... |
[H:30][c:13]1[c:12]([c:14]([c:16]2[c:17]([c:15]1[H:32])[C:11](=[C:10]([S:7]2)[C:8](=[O:2])[N:19]([H:34])[C@:23]([H:43])([C:9](=[O:3])[N:18]([H:33])[C:20]([H:35])([H:36])[C:6]#[N:1])[C:25]([H:45])([H:46])[S:27](=[O:4])(=[O:5])[C:26]([H:47])([H:48])[C:24]([H:44])([C:21]([H:37])([H:38])[H:39])[C:22]([H:40])([H:41])[H:42])... | [
-5.608766078948975,
-0.8586580157279968,
2.64459490776062,
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-2.278503894805908,
2.459804058074951,
0.9771... | [
-1229994.125
] | [
24.821578979492188,
-7.398311138153076,
-34.752960205078125,
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33.237220764160156,
4.084099292755127,
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4.753957748413086,
13.92024... |
[H:29][c:13]1[c:15]([c:18]2[c:16]([c:17]([c:14]1[H:30])[N+:19](=[O:2])[O-:1])[S:8][C:24]([C:26]([C:27]([C:25]([C:23]([O:5][C:10](=[C:12]3[C@:22]2([N:4]=[C:9]([N:3]=[C:11]3[C:21]([H:35])([H:36])[H:37])[S:7][C:20]([H:32])([H:33])[H:34])[H:38])[O:6][H:28])([H:39])[H:40])([H:43])[H:44])([H:47])[H:48])([H:45])[H:46])([H:41]... | [
5.7631940841674805,
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-0.9967470169067383,
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2.84694504737854,
1.1981420516967773,
0.00659599993377924,
-1.826550006866455,
1.0156... | [
-1229789.5
] | [
-49.62506103515625,
-62.233211517333984,
13.782238006591797,
2.5530691146850586,
67.12307739257812,
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-66.17182922363281,
19.06194496154785,
5.9177961349487305,
-23.388961791992188,
-27.380769729614258,
6.5124... |
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