smiles
stringlengths 11
172
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stringlengths 41
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int64 8
77
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| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C5CCC4=NN=C(C3=CC=CC(=C3)C)[N]4C5)=O
|
67CD3A697AB125EA_855BD34AED580002_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)OC3=NC=CC=C3)=O
|
884E16E4F31F6B37_1783B35E1AF64FEB_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC4=C(C3)C=CC=N4
|
AEE29955A46270C0_4037AB2F7076ED50_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C34C(C3)(C4)C5=CC=CC=C5
|
5BDC9DDB842D86A5_CD8D774BE8DF12ED_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)COCC3CCCC3
|
8FD40BC8C11C207F_363940267F1AE6C2_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)(C)CC3=CC=C(C=C3)C#N)=O
|
EF152F5E688E1B94_D53587C09D199393_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C=C3)N4CC[S](=O)(=O)CC4)F
|
0EDFE62F8F9EADD2_6F9259A6D55912CE_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NC(=C[N]3C)C4=CC=CC=C4)=O
|
50F7C00CD9671C24_CC880F98744D235E_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCCN3C(N)=O)=O
|
5EFBAA4D139A4CE1_483FD0306B6B458F_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OCC)C=CC=N3)=O
|
2F6558D81720A84D_D25C097FA00A38D9_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3F)F)C)=O
|
EDEF144FB29A3D6C_CE258BC9183506DD_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3CCC4CC34
|
A0A235814A0DFBBF_2E2E04657B4B884E_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C(N=C3C=CC=CC3=N4)C5CC5
|
3CFC344E5E622CC9_5347EB2E4190122D_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=NN=C(C)S3)=O
|
12FF71ABFA484974_42BD2D1DDCF23816_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NOC(=C3)C4=CC=C(C)C=C4)=O
|
0BA0613E94A733E0_D3857F6F15E4CDAB_6038_UN
| 30
|
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