smiles
stringlengths 11
172
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41
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int64 8
77
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| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C[N]3CCN4CCOCC4
|
E0CBD34493F33A68_F0FE755BCB684A5F_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3=NC(=C(O3)C4=CC=CC=C4)C)=O
|
E10D849A67D5DE70_DBD10C9695FF5DAB_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC4=C(C3=C(C=C(OC)C=C3)OC)[NH]C5=C4C=CC=C5)=O
|
90D98304ACCD11B8_BCD64E1DE6369196_6038_UN
| 39
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN3C(=O)CC4=CC5=C(C=C4)C=CC=C5
|
C87A383258A65AF5_19FCCAE03F84B4FD_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCOC3=C(C(=CC=C3)Cl)Cl
|
6BE57E6034171A70_E471A88203A97DDD_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(CC)SC)=O
|
9DDECCD8518E5B79_39AE7CDDBCAC497F_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC3=CC4=C(C=C3)C=CC=C4
|
373F9E23BEEE00B6_24BC68720D2C3FB1_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C[S](C)(=O)=O)C4=C(O3)C=CC=C4)=O
|
CAD8866094B0D106_FD334C865D2B0F25_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(N(CCC)CCC)=O)=O
|
2920DDDB08DC2C85_C2B75C2101879DE0_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C[N](CC3=CC=C(OC)C=C3)N=C4)=O
|
4D2F983D92A33914_4DDEC1BC52289BCA_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCN3C(=O)CCC4=C3C=CC=C4
|
FDCD60FD4DC9AFCE_DB2673CC4E9A562D_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCCC3C(N4C5=C(CC4C)C=CC=C5)=O)=O
|
514788EEC691580F_8EC2D05EBD58F0DC_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C(SC3=C(C=CC=C3)F)C4=CC=CC=C4
|
0AE824ED03CA719A_51E89560AF703A75_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C(OCC(C)C)C=C3)=O
|
0E9CF475BFA8E58A_F0EDCFD45960EA0C_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)OCC(=O)C4CC4
|
1DFA925B5727C367_4DA0EB320EA164A0_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C3=CC=C(OC)C=C3)C)=O
|
C0ED640B80FA7B38_9F430F4918E2D00C_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCN(C3)[S](=O)(=O)C4=CN=CC=C4
|
E1035B486A67E609_E6E6F3E0562BDB82_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCN(CC3)CC#C
|
E9817BADE8C23C42_20B5491126D95FB7_6038_UN
| 27
|
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