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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413731.40625
] | [
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413737.375
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2.3693344593048096,
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:13])[O-:14] | [
2.814059019088745,
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0.4137... | [
-413724.40625
] | [
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4.8861... |
[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413730.09375
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413733.4375
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0.38907501101493835,
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[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413730.25
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5.3... |
[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413734.96875
] | [
0.9134782552719116,
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4.94... |
[H:9][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[F:1])[H:10])[H:12])[F:2])[H:11].[H:17][C:16]([H:18])([H:19])[C:15](=[O:14])[O-:13] | [
2.814059019088745,
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0.4137... | [
-413730.8125
] | [
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[H:29][C:9]1=[C:12]([O:4][C:11](=[C:8]1[H:28])[C:20]([H:35])([H:36])[S:5][C:24]([H:45])([H:46])[C:25]([H:47])([H:48])[N:17]\2[C:10](=[C:7]([H:26])[H:27])[C:6](=[N:3][N:15](/[C:13]2=[C:14](/[H:30])\[N+:18](=[O:1])[O-:2])[H:31])[C:19]([H:32])([H:33])[H:34])[C:23]([H:43])([H:44])[N:16]([C:21]([H:37])([H:38])[H:39])[C:22](... | [
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-0.9994... | [
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22.75471115... |
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