smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCN4C3=C(C=CC=C3)SC5=C4C=CC=C5
|
52A9120A4155E35D_5E21056521412527_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
|
D386EB0115D3FE8C_FB57019AE18ACDA3_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C(=C(C)C(=C3C)C)C)C)=O
|
96D5D33542462461_0AF72E692A9E4A80_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(C3=CC=C(OCCC)C=C3)=O)=O
|
36596783D840CB09_E73C1B28686D0DCF_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(C3=CC=C(CC)C=C3)=O)=O
|
AC3D564EFF0FAFC9_A8F20B8220D28EC1_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC(=O)C3=C(C=CC(=C3)F)O4
|
09A3C5C3F62F292A_DBB3549D0DEA4FB0_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C)(C)C=C)=O
|
29B09BB1B3C7C37C_9914BC4D297F4D9A_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC=CC3=C(C=CC=C3)F
|
3646BB49C85917E7_1D7C4ED9448E1C3F_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCN3C(C)C)=O
|
1DC1233C8F52A140_DD7AB52C70C08DA8_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CC=C)COC3
|
5DDE6E8D54786441_7DDAAB7C689F5EC4_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)N[S](=O)(=O)C3=CC=C(C=C3)C)=O
|
7D3D5964C07D077A_9533C98948905128_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)OC=N4
|
8DF4795DCCBE1008_8A6428645A4FAF4D_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C(=C3F)F)F)[S](N)(=O)=O)=O
|
FB48225F81FCD838_ECFDB7FB97C85642_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)N=C(N=C3)N)=O
|
D643A55D4CC18710_0B25D547B08C919D_6038_UN
| 26
|
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