smiles
stringlengths 11
172
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int64 8
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5AD942E572F968A6_D6DB69A040394718_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(C=C(OC)C=C3)C)=O
|
3A4320743075FC32_79C68DA6AA186677_6038_UN
| 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OC)C=C(C=C3)C#N)=O
|
443D6E98F78DAC79_280BE67857284C1C_6038_UN
| 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CN=CC(=N3)C)=O
|
9BC381FE33424334_C855A5298333E042_6038_UN
| 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CN=C(CC(C)(C)C)S3)=O
|
69C4C659F823E072_700186DFF0695B13_6038_UN
| 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC4CCC(C3)O4
|
53C145A7BC714C47_FE2B4BF49468F166_6038_UN
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)COC3CCCCCC3
|
19B0B5CD992D109E_98DDC3629E32DE05_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)SC=N4
|
B0F9FCB33201B13D_C7B6E1556CBB716A_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4C3=C[NH]N=C3CN4)=O
|
851859E2211323C1_2670D8F5C8B1CBC1_6038_DP
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CC3CC3CC4C)=O
|
011AAEE3FECF28F1_23F74C45C917CADE_6038_UN
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CCC3=NC(=N[N]3C4)C)=O
|
938ABBB05DD79118_CBF5627F6EB36FC1_6038_UN
| 28 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C#CC3CCCCC3
|
DFCB5F4363929C54_A0C763B834553F51_6038_UN
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C#CC3CCCO3
|
1BB46B85A3BB7FEB_C1BC043AA9E60017_6038_UN
| 25 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C#CC3=NC=C(C=C3)F
|
8133BCD1F05CF3D0_03743965E0198C45_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C#CC3CCCCO3
|
399502E213EF34E3_9E9B25A94B990A19_6038_UN
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(COC)[NH]N=N3)=O
|
248691A1BCD95DFD_43D00AF7910A872C_6038_UN
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(CC)C3CC3)=O
|
AA3534A92E6BD88B_8027B85E623E8D66_6038_UN
| 25 |
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