smiles
stringlengths 11
172
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41
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int64 8
77
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| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C(CCC)C=C3)=O
|
3F96A6FF50468CC2_227452E57BAA5B3D_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=C(C(C)C)C)=O
|
3851DAEC65796015_A891B03624343446_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@H]3O[C@H](CC3)CN4CCOCC4
|
C5C9B2AE1B06D99B_F6A5F8C56A63705E_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C[S](CCCC)(=O)=O)=O
|
99B50508AAE996F0_382ABC3E18D584E6_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CN(CCOC)C3=O)=O
|
6A3F59CFAD82AE5C_A651030FAE294A33_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CSC(=N3)N(CC)CC(C)C)=O
|
7201B11438608871_5D3DD0576AE36BBE_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C[N]([C@@H]3COC[C@H]3OCC)N=N4)=O
|
7BDD80DA293CB184_F3A5796FB721683F_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CC3=C(OC)C=CC(=C3N4)F)=O
|
0A561D53DBE71BAC_F884433A1A02C17D_6038_DP
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3=C(C)N=CS3)=O
|
B6995B01370B766A_787A96DCF160C212_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3C(C)NC4=C3C=CC=C4)=O
|
E161EBF01E11C6E0_5D0B925683CECB2B_6038_DP
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C#CC3CCCN3)=O
|
2C182DB6DBF0DDDE_E0BC707719ADD432_6038_DP
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H]3[C@@H](CNC3)C4CC4)=O
|
2BF3D0ABC2B7E6D3_15E0B597CCD11DCE_6038_DP
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[NH]C(=N3)C4CCNCC4)=O
|
C8B1AB4E68D77B97_1EECA3989BCC9719_6038_DP
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)C=C3)B4OC(C)(C)C(C)(C)O4)=O
|
9492EAD8E74C474E_510826089AD3D542_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3C[C@]3(C)C4=CC=CC=C4)=O
|
8F196B9A8F67A158_DCC6945C5EECC20D_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C3CSCCC3=N[N]4C)=O
|
6F239DCA583E1312_A93AAE74CB309179_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(OC)CCNC3)=O
|
61B16CAEDE4EC6A1_BBC90439A43D43CD_6038_DP
| 25
|
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