smiles
stringlengths 11
172
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int64 8
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| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OC(C)C)C=NC=C3)=O
|
F261FBBC0CC3A5C4_CBC70D5AF6D0E7CC_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)CCCC4
|
8085FB26CEAFDC5A_544B4217665C22DB_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3([S](C)(=O)=O)CCC3)=O
|
AE6ABD2F4D43B634_4E895708A5054554_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C([N](CCOC)C=C3)C=C4)=O
|
71F9938D8DDFF515_D3A108BA7D9973D4_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(C=C[N]3C(C)C)C=C4)=O
|
67BCDD423FDE0F25_D237C8DFF25A7891_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC4=C3C=C[N]4CCOC)=O
|
CAA8B458DCBB071E_055AEA4349932859_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC[N]3C=NN=N3
|
A4B6920B58310FD5_1DEFBC1A929CB353_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC(CC#N)C3=CC=CC=C3
|
888506697A9BE8C3_5F7F0B1D99ABE4EF_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(COC3CCC(C)CC3)=O
|
7A83FF84ECD9F944_C44775D8A5110F6F_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3OC(C)C)[N](=O)=O)=O
|
17403E1BA228CA59_BBE446F79384682A_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C(CC)C)OC)=O
|
79E103F680709370_B6D78B35B16F6357_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCC(CC3)OCCC4CC4
|
2AABCB23E4698F19_278B633518C18091_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCC(N(C)C)C3)=O
|
61E7D2FBC8B5869F_93792FBFE7FA4B90_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC4=C3C=C[N]4C(C)C)=O
|
8DBBD7088B1C577E_D0BED61CC22CAEFF_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H](C)[N]3C=NN=N3)=O
|
AFC7A86659E5DB70_C92BEEB32788F275_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCC3SC)=O
|
1339DA41CDB417FA_8BE850992BBC9625_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCCCC3CC)=O
|
D8210F83ACCCBAC7_9F4C69DB644A8970_6038_UN
| 26
|
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