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Upload Mestranol_Similarity/medium.csv

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+ smiles,score
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+ COc1cc2c(cc1O)CCC1C2CCC2(C)C(=O)CCC12,0.6119554204660587
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+ CC(O)[C@@]12C[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C,0.6332350049164208
137
+ Cc1ccc(/C=C\[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1,0.5486590038314176
138
+ C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)OC[C@@]21C,0.5566343042071197
139
+ COc1ccc2c(c1)CC[C@H]([C@@H]1CCC(=O)[C@@]1(C)CC(=O)[O-])C2=O,0.516934046345811
140
+ CC[C@@H]1CC[C@](C#N)([C@]2(O)CCc3ccc(OC)cc32)C1,0.5045045045045045
141
+ COC[C@@H]1C[C@@H]2[C@H](CCC3C(O)CC[C@H]32)c2ccc(O)cc21,0.5271317829457364
142
+ C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2O,0.5054945054945055
143
+ CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0.5872576177285318
144
+ CCOC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.5448028673835126
145
+ CC[C@@H]1CCC[C@H]([C@]2(N)CCc3ccc(OC)cc32)C1,0.5307855626326964
146
+ COc1ccc(C[C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c(OC)c1,0.5178743961352656
147
+ COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCCC1(C)C)CCC2,0.5156092648539778
148
+ COc1ccc2c(c1)C[C@@H]([C@@]1(O)CCCC[C@H]1C)CC2,0.6308724832214765
149
+ COc1cc2c(cc1S)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0.6792452830188679
150
+ CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O,0.5842696629213483
151
+ COc1ccc2c(c1)C[C@H]([C@@]1(O)CCCC[C@H]1C)CC2,0.6308724832214765