smiles
stringlengths 11
172
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41
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int64 8
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| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)OC3=C(C=CC=C3)C4=CC=CC=C4)=O
|
6BBC7B8B16D313D0_7AD414FC63641595_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[N]3C)C4=CC=C(C=C4)F)=O
|
0AE991BADA60F6DC_B053F89EA6676A1F_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=N[N]3C)=O
|
F0ECE935361DC43F_6E8DAE75894F76B8_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CSC4=NCCN34
|
042DC35A1BC52745_491FD4371C927E5A_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=N[N]3CCF
|
13107D893925DC6B_36FA0888201A6133_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=C3)C4=CC=NC=C4
|
2F95BB12A7041452_7CC79C2D01AB63AE_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3CC(=O)OC3=O
|
B6EC6F5EA9A52C0B_7EE9CD733F193C04_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(N=C(C3=C(ON=C3C)C)S4)C)=O
|
801D5CCB3DB032C3_EFED360D2AB2FBB2_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[NH]N=C3C(C)(C)C)=O
|
CAB6522923486D2B_F7E8CA7E5707794B_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCN3N=CN(C)C3=O)=O
|
848E4532DDF1FE9E_A5506E980E66D94A_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(C(=CN3C)OC)=O)=O
|
8085B341C51EF484_7D39ECF4478D9491_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C(C(C)=O)S3)=O
|
8B19E5B2C46208C4_EC5D435931EF295F_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=CC(=C3)C4=CC=CC=C4
|
2006D4CD95E2A35A_C84CD50495C1DC49_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCC4=C3N=C(N)S4)=O
|
649554A5340CEC0A_292A3CAF61B120B5_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)C(=O)CCC4
|
ED835C09364BD35E_4482FC76FD3EB314_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NSC4=C3C=C(C)C=C4)=O
|
18E83FE355C7A705_E07020ADF8E663A2_6038_UN
| 28
|
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