chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4282075 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][C][C][Branch1][#Branch1][C][C][N][C][Ring1][Branch1][C][C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4282155 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F][C][C][Ring1][P] |
CHEMBL4282156 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][C][C] |
CHEMBL4282157 | [C][#C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=C][N][Branch2][Ring1][#C][C][/C][=C][/C][C][C@@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@H1][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C@@H1][Ring1][#Branch1][C][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N] |
CHEMBL4282236 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4282237 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][=N][Branch1][C][C][O] |
CHEMBL4282238 | [C][C][C][/N][=C][\S][/C][=Branch2][Ring1][Branch1][=C][\C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][C][O][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4282239 | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring2][C][C][/C][=C][/C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N] |
CHEMBL4282240 | [O][=C][Branch1][C][O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] |
CHEMBL4282241 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring1][P][F] |
CHEMBL4282322 | [C][C][C][C][C][C][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C@H1][C][C@][Branch1][=Branch1][O][C@H1][Ring1][Branch1][O][C@H1][O][C@H1][Ring1][Ring1][C@@][Branch1][C][O][Branch1][#Branch1][C][C][Branch1][C][C][=O][C@H1][O][C@H1][Ring1][Ring1][Ring1][S] |
CHEMBL4282323 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][Branch2][Ring1][Branch1][N][C][=C][Branch1][N][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][N][=N][Ring1][N][C][=N][Ring2][Ring1][C] |
CHEMBL4282324 | [C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4282325 | [C][C@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4282326 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch2][Ring1][=C][C][O][C][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][N][=N][Ring2][Ring1][Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][P] |
CHEMBL4282404 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][F][O][Ring2][Ring1][#Branch2] |
CHEMBL4282405 | [O][=C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=N][Ring2][Ring1][Ring1] |
CHEMBL4282406 | [C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][#C] |
CHEMBL4282407 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][/C][=N][/C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][N][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4282493 | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch1][C][#C][C][O][S][Ring1][=Branch2] |
CHEMBL4282494 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch2][Branch1][S][C][=Branch1][C][=O][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][C@H1][Ring2][Ring2][#Branch1][C] |
CHEMBL4282495 | [O][=C][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][O][Ring1][#Branch2] |
CHEMBL4282496 | [C][C][O][C][=C][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][Ring1][=C][O] |
CHEMBL4282497 | [O][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][O][C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring2][Ring1][Ring1][=Branch1] |
CHEMBL4282498 | [C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=N][N][C][=C][Ring1][O] |
CHEMBL4282499 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4282583 | [C][O][C][C][C][C][C][N][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][C][=Ring1][#C][Ring2][Ring1][Ring1] |
CHEMBL4282584 | [C][C][C][C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][#N][C@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
CHEMBL4282585 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4282586 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4282587 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=N][C][C][C@][Ring1][P][Ring2][Ring1][#Branch2][C] |
CHEMBL4282588 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][O][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N] |
CHEMBL4282658 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][N][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4282659 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=N][C][C][C@H1][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL4282660 | [C][C][Branch1][C][C][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring2][Ring1][O][=Ring1][=C] |
CHEMBL4282661 | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL4282662 | [C][C][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][Branch1][Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1] |
CHEMBL4282663 | [N][#C][C][=C][C][=N][C][Branch2][Branch1][N][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring2][Branch2] |
CHEMBL4282736 | [O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4282737 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] |
CHEMBL4282738 | [C][O][C][=C][C][=C][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4282739 | [C][C][C][C][N][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][=C] |
CHEMBL4282740 | [C][C][=C][C][=C][Branch2][Ring2][O][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=S][S][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4282820 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][=C][C][C][=N][N][Branch1][Branch1][C][C][C][#N][C][=Ring1][=Branch2][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4282821 | [O][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring2][Ring1] |
CHEMBL4282822 | [C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][=C][C@@][Branch1][C][C][Branch1][C][O][C][C@@H1][Ring1][#C][Ring1][Branch2] |
CHEMBL4282823 | [C][C][=C][C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C@H1][Branch1][Ring1][C][#N][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring2][=Branch1] |
CHEMBL4282824 | [C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4282825 | [N][=C][Branch1][C][N][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][N][C][=Branch1][C][=N][N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][O][N][C][C][C][N][C][=Branch1][C][=N][N][=C][Ring2][Ring1][=Branch1][S][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4282900 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4282901 | [C][C][C][=N][C][=C][C][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Branch1][C][N][O][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] |
CHEMBL4282902 | [C][C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4282903 | [N][#C][C][=N][C][=C][C][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][C][N][O][C][Ring2][Ring1][C][=Ring1][=C] |
CHEMBL4282998 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][S][C][C][Ring1][Ring1] |
CHEMBL4282999 | [O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4283000 | [O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Ring1][#C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch1][O] |
CHEMBL4283001 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4283002 | [C][S][C][C][C@H1][Branch2][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4283087 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][NH1][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=C][Ring1][=N].[Cl] |
CHEMBL4283088 | [Br][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=C][S][/C][=Branch2][Ring2][Ring2][=N][\C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4283089 | [O][=C][/C][=Branch2][Ring2][O][=C][/C][=C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring2][#Branch2][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4283090 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C@H1][C][=C][Branch2][Branch1][Ring2][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][C][C][C@H1][Ring1][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][Ring2][Ring2][Branch1][C][C][N][Ring2][Ring2][Ring2][C] |
CHEMBL4283091 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4283092 | [O][=C][N][/C][=Branch1][Ring1][=N][\O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4283093 | [C][O][C][=C][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4283094 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][=C][Ring1][=N] |
CHEMBL4283175 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4283176 | [C][C][=C][C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][S][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4283177 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4283178 | [C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4283268 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=Ring1][#Branch2][N] |
CHEMBL4283269 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1] |
CHEMBL4283270 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4283271 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4283272 | [C][O][C][C][N][/C][=Branch1][#C][=C][/N][=C][N][Branch1][Branch1][C][C][O][C][C][Ring1][=Branch2][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Br] |
CHEMBL4283273 | [C][N][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4283274 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N][=C][Ring2][Ring2][=Branch1] |
CHEMBL4283275 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][N][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][C][Ring2][Ring1][C] |
CHEMBL4283359 | [C][N][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2] |
CHEMBL4283360 | [C][N][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4283361 | [C][O][C][=C][C][Branch2][Ring1][N][/C][=C][\C][=Branch1][C][=O][O][C][\C][Ring1][=Branch1][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4283362 | [O][=C][Branch1][#C][N][/N][=C][/C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4283363 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4277874 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C@H1][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#C][O] |
CHEMBL4277875 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4277876 | [C][C][=C][C][=C][C][Branch2][Ring2][N][N][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][/C][=C][/S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O][=C][Ring2][Ring1][P] |
CHEMBL4277976 | [O][=C][Branch1][C][O][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277977 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][C][C@][Ring2][Ring1][P][Ring2][Ring2][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Branch1][C][=O] |
CHEMBL4277978 | [C][O][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O][=C][N][Ring1][P][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4277979 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[C][O][/N][=C][/C][=C][N][Branch2][Ring2][Ring2][C@][C][C@H1][Ring1][Ring1][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][P][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch2] |
CHEMBL4277980 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][C][O][C][Ring1][Ring1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][O][Ring2][Ring1][C] |
CHEMBL4277981 | [C][S][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=N][N][Branch1][=C][C][C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][O] |
CHEMBL4278066 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C] |
CHEMBL4278067 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL4278068 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4278069 | [O][=C][Branch2][Ring1][#C][N][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4278070 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C@@H1][C][N][C][=C][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4278071 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] |
CHEMBL4278160 | [C][O][C][=N][C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N][O] |
CHEMBL4278161 | [C][C][O][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][C][C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1][=C][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
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