smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C([N](N=C3C)C4=NC(=CC(=N4)C)C)C)=O
|
8DB5099042188CE1_FB83328A94443217_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3=CC=C(C)O3)=O
|
625B987BEF91CF00_BED3FB40E58B6B21_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C([S](N)(=O)=O)C=C3)F)=O
|
E174185276D9C2C4_A576EEA24599C0C0_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=C[NH]3
|
574F4C56301E0823_1DD7D222557CC35E_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3(C[S](C)(=O)=O)CC3)=O
|
9CB1FA153F8B2F92_078B138F00A1480C_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCN(C(C)=O)C3)C)=O
|
AC4F7CB9FAAC7E2C_959D01F008F3CE0D_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CC=C3)OC4CCC4
|
E21B5C32E36B4E00_330931D9AE2CB4D7_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CC3(C)C)=O
|
98A3DA0B82F7AA9E_C203F2E00CC06862_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CSC(=N3)C4=C(OC)C=CC=C4)=O
|
2B4187316EF34E52_10311DB803D71554_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3CCCO[C@H]3C=C
|
D1394BA091580736_1AC2490B9E20E003_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3N=CSC3=CC=C4
|
D1D00714A881E475_5EF09E1851E125CA_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC4=C(C=C3)OC(C)(C)C4)=O
|
22A1E7A7A8CEEB3C_7B604A53EEC97D65_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3)C4CN(C)CCC4)=O
|
A7100A6DA57CD5D7_9A6680F56D2C84D5_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=NS3)OC)=O
|
685902DFB2815048_CF4BFFDCE1BF06E7_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=NSC4=C3C=CC=C4
|
20BE52265680329F_E193BAD926443083_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(C)N=C(S3)SC4CCCC4)=O
|
ED55BD266F1E9DF8_F8486BC723D38BAB_6038_UN
| 31
|
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