smiles
stringlengths 11
172
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int64 8
77
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)OC4CCOCC4
|
6531DCA5850801C8_121372C4887F6B5F_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CSCN3C(=O)C4CCC4
|
50A304964874362D_C1F98D0C5FAC6A5C_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CS3)[S](=O)(=O)NCC4=CC=CO4
|
85909F2FC7EACD61_4B77046EB7B2A753_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CS3)[S](=O)(=O)NC4=CC=C(C=C4)F
|
60A510B4EC3FFEB1_5AB396D0A319DEEB_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C([S](NC3=CC=C(C)C=C3)(=O)=O)C=CS4)=O
|
0CE6634CC4068A34_FC2E9206051DC315_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSCC(=O)C3=CC=CC=C3
|
EB6DBD24C9F23D71_00D818EE6BF66BD4_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C[N](CC)C4=C3C=CC=C4)=O
|
D7FC4A7737AFA605_769FE1D188E2062D_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC[N]3C=CN=C3C)=O
|
EC3CB87BB2194E28_AFA71BA45B82D4D3_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)N3CCN(CC3)C4=CC=C(C=C4)F)=O
|
5D20845FD61921E4_197824B852A83067_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3)[S](N4C5=C(CC4C)C=CC=C5)(=O)=O)F)=O
|
C0FCD6743F7C476E_4BFE90319CB5BD1A_6038_UN
| 38
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CSC)C)=O
|
3F2EA8A48600E6DB_BB38B8003AD11956_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC(C)(C)C)=O
|
746FD7E25F8EDB20_D49E60974AB6F170_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(C=CC(=N3)C)O4)=O
|
337E553272A32D8B_B2252C0F7CF688E6_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)N4CCC(CC3=CC=CC=C3)CC4)=O
|
87B7E931270B6E80_70C182A9709DC166_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC4CCC3=C(C=CC=C3)C4
|
01D700BAE3241532_2771094187C33692_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](N=N3)C5=C4C=CN=CC4=CC=C5)=O
|
6A48AE82DA84353F_B17323714596B728_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](N=N3)C5=C4C=CC=NC4=CC=C5)=O
|
D5ACAA8862F5BE49_0BD681347DB536A8_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C[N]3C)[S](N4CCCC(C)C4)(=O)=O)=O
|
6DC7F31869F803E1_E7CAA968D1778990_6038_UN
| 34
|
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