smiles
stringlengths 11
172
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int64 8
77
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| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[N](N=C3C4=CC=CC(=C4)OC)C5=CC=CC=C5)=O
|
92D72844274B1C5A_62AC971B31B97A56_6038_UN
| 37
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3)[S](NC4=CC=C(CCCC)C=C4)(=O)=O)C)=O
|
32CAAF1C8D287751_E837D1F1D772B6FC_6038_UN
| 39
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN3C(=O)C4=NC=CN=C4
|
0B46EA8687A468E7_AFD320E4AA4282E9_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCCCCCCCC)=O
|
4DFD9E37B3D5CD8E_A7039D38C9EA929D_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3)[S](NC4=CC=C(OC)C=C4)(=O)=O)=O
|
E651CBF9F5B09FA7_2452AF00BB3B9F6A_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)[S](=O)(=O)N4CCOCC4
|
514CD5F195AAD78A_1DDF3FF000BE5AC3_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4C3CC5CC(C3)CC4C5
|
2CC2BF2078ABD264_FF69AE237DAD8819_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NOC(=C3)C4=C(OC)C=CC=C4)=O
|
8E6541FAE164992A_765C8E4D88C242B7_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC=C([S](NC3=CC=C(OC)C=C3)(=O)=O)C=C4)=O
|
4D9FB164B8BEB6B7_B46026D561DABD4F_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(OCCCCCC)C=C3)OC)=O
|
E4702576DD302B08_2B0732278F2C3925_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C5=C4CCC(=CC3=CC=C(C(C)(C)C)C=C3)C4=NC6=C5C=CC=C6)=O
|
0A0D5A3D262729BE_B323F0AEF8A64B71_6038_UN
| 42
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(C)N=C4C(=C3C)C=CC=C4)=O
|
0680878EC5FFE2A6_967FC95549A9DB43_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN[S](=O)(=O)CC3=CC=CC=C3
|
A8204003DFD07A49_A252ED41C468E61D_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)[S](=O)(=O)NC4=C(C=CC=C4)F
|
715530959026E29D_A1E7208E34BDAD98_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CC3C)=O
|
EBC34BC1732B1DE8_CCF892358737A83D_6038_UN
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CC=C3)N[S](=O)(=O)C4=CC=C(C=C4)F
|
CB79DD8248415D0D_17170435050658F2_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CC=C3)[S](=O)(=O)N5CCN(CC4=CC=CC=C4)CC5
|
BCC1D7BBF420F503_8391DB64C95F77EF_6038_UN
| 40
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4CCN(CC3=CC=CC=C3)CC4
|
D6FFF41D2817AAB1_472179CBB5DA9918_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N](=O)=O
|
57FBC8F17370D18F_1AEF8F713A3C8AE6_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3C=CC=CC3=NC(=C4)C5=CC=C(C=C5)C6=CC=CC=C6
|
66F998755F300211_92F288CE3948081A_6038_UN
| 40
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3)C4=CC=C(OC(C)=O)C=C4)=O
|
CA113275839CA65E_064834E851EEE380_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)N[S](=O)(=O)C4=CC(=C(C=C4)F)F
|
85E0A9590302968E_264973CE298EC80B_6038_UN
| 36
|
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