chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4281258 | [C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][/C][=Branch2][Ring1][O][=N][/N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][S][Ring1][=C][C][Ring2][Ring1][#Branch1] |
CHEMBL4281259 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][O][O][C][=C][C][=N][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C] |
CHEMBL4281260 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4281261 | [C][N][C][=C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4281262 | [N][#C][/C][=Branch1][Ring2][=C][\C][O][C][O][C@@H1][O][C@H1][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O] |
CHEMBL4281350 | [N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch2][Ring1][#Branch1][C][C][C][N+1][=C][C][Branch1][C][Cl][=C][Branch1][Ring2][/C][=N][/O][C][Branch1][C][Cl][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2].[Br-1].[Br-1] |
CHEMBL4281351 | [N][#C][C][=C][N][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=C][Ring1][#C][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][O] |
CHEMBL4281352 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring2][Ring1][=Branch2][N][C][=C][Ring2][Ring1][S] |
CHEMBL4281353 | [C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4281443 | [C][C][C][S][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][N][=N][Ring2][Ring1][=N] |
CHEMBL4281444 | [C][O][C][=C][C][Branch2][Ring2][Ring2][C@H1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C@H1][Ring1][S][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4281445 | [C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4281446 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][C][N][C][C][Branch2][Ring2][=Branch1][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C] |
CHEMBL4281529 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][C][=C][Ring1][=C][O] |
CHEMBL4281530 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4281531 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][N][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][N][=C][\C][=C][C][=C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][S][C][Ring2][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][=C][C][C][Ring2][Ring2][=Branch2] |
CHEMBL4281532 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][C][=C][C][=N][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4281533 | [C][=C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C][C][=C] |
CHEMBL4281534 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4281535 | [C][C][=C][S][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][P][=N][Ring2][Ring1][=Branch2] |
CHEMBL4281624 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=N][C][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][S][Ring1][=N] |
CHEMBL4281625 | [F][C][Branch1][C][F][C][=C][C][=N][C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#Branch2] |
CHEMBL4281626 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][#Branch1][#Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][=Branch1][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][Ring1][#C][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][N][=N][Ring1][=C][C][C][C@][Ring2][Ring1][=C][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][=N][Branch1][C][C][C][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][C][O] |
CHEMBL4281627 | [C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][N][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4281628 | [N-1][=N+1][=N][C@][Branch1][Ring1][C][O][O][C@@H1][Branch1][N][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][C@@H1][Branch1][C][F][C@@H1][Ring1][#C][O] |
CHEMBL4281717 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C@@H1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4281718 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4281719 | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O] |
CHEMBL4281720 | [C][C@H1][Branch2][Branch1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring2][Branch1][C][N][C][=N][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][Branch1][C][C][N][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][C][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281721 | [F][C][Branch1][C][F][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][=N][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4281722 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4281812 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4281813 | [O][=C][Branch2][Ring1][Ring2][N][/N][=C][/C][C][=C][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P] |
CHEMBL4281814 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][Branch3][Ring1][C][=Branch1][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][Branch2][O][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
CHEMBL4281815 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4281894 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C] |
CHEMBL4281895 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][N][N][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][F] |
CHEMBL4281896 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4281897 | [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][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4281978 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][Branch1][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][C][C][Ring1][=C][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4281979 | [C][O][C][C][C][C][C][N][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][S][C][=Ring1][=C][Ring2][Ring1][C] |
CHEMBL4281980 | [O][=C][C][=C][Branch2][Ring1][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4281981 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][O][=N][C][=N][Ring2][Ring1][C] |
CHEMBL4282065 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4282066 | [N][#C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4282067 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282068 | [C][O][C][=C][C][=C][C][Branch2][Branch1][O][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][O][C][O][Ring1][#Branch2][=C][Ring2][Ring2][Ring1][O][C].[Br-1] |
CHEMBL4282069 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][=N][Ring1][O][C] |
CHEMBL4282149 | [C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][O] |
CHEMBL4282150 | [C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4282151 | [C][C@][C][C@@][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring2][Ring2][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][=Branch2][C][Ring2][Ring2][Branch2][O][Ring2][Ring2][O] |
CHEMBL4282152 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4282153 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][S][C][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C@H1][Ring2][Ring1][#Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4282154 | [C][O][C][N][=C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][S][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=Branch1][#C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][C][Ring1][=C] |
CHEMBL4282229 | [C][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282230 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][O][C][Branch2][Branch1][S][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][=C][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#C][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][F][C][Branch1][C][F][=C][Ring2][Ring2][Ring2][=N][C][Ring2][Ring2][=Branch2][=C][Ring2][Ring2][=N] |
CHEMBL4282231 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4282232 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
CHEMBL4282233 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=N][\N][C][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4282234 | [C][C][Branch1][C][C][N][Branch2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4282235 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
CHEMBL4282318 | [C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][P][C][C@H1][O][C][=Branch1][C][=O][C@@H1][Ring1][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=O] |
CHEMBL4282319 | [C][C][Branch2][Ring2][=Branch1][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][Ring2][Ring1][#Branch2] |
CHEMBL4282320 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][S][Ring1][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F] |
CHEMBL4282321 | [C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][#C] |
CHEMBL4282400 | [C][O][C][=C][C][Branch2][Ring2][Ring2][/C][=N][/N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4282401 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4282402 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4282403 | [N][C][=C][C][=C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=N][Ring1][S] |
CHEMBL4282490 | [C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][S][C][=Ring1][P][C][Ring2][Ring1][Branch1] |
CHEMBL4282491 | [C][C][C][S][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=N][=N][Ring2][Ring1][Branch2] |
CHEMBL4282492 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Branch2][N][C][=C][Ring2][Ring1][#C][F] |
CHEMBL4282576 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL4282577 | [C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4282578 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S] |
CHEMBL4282579 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4282580 | [O][=C][C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL4282581 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring1][Branch1][C][N][Branch2][=C][P][C][C][=Branch1][C][=O][N][C][Branch2][=C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][N][S] |
CHEMBL4282582 | [C][C][C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=C][Ring1][#Branch2] |
CHEMBL4282654 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=S][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4282655 | [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][O][O][Ring2][Ring1][#Branch2] |
CHEMBL4282656 | [C][C][C][Branch1][Ring1][C][O][N][C][C][O][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4282657 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4282731 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4282732 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Ring1][Branch1][O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL4282733 | [C][C][C][C][C][C][C][=C][C][=C][Branch2][#Branch1][S][C][=C][C][=C][Branch2][#Branch1][Ring2][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][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][N][Branch1][Branch1][N][=N][Ring1][Branch1][C][C][C][N][C][C@@H1][O][B][Branch1][Branch2][O][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C@H1][Branch1][C][C][N][C][Ring2][Ring1][=Branch1][=O][C@@H1][Branch1][C][C][O][C][=C][Ring2][Branch1][#Branch1][C][=C][Ring2][Branch1][=N] |
CHEMBL4282734 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][O][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring2][Ring1][Branch2][=S] |
CHEMBL4282735 | [C][N][Branch1][C][C][C][C][C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C] |
CHEMBL4282815 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][N][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4282816 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][=C][O][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4282817 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][O][Ring1][S][C][=C][Ring2][Ring1][N] |
CHEMBL4282818 | [C][C][C][C][C][C][C][C][C][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][N] |
CHEMBL4282819 | [C][/C][=Branch1][Ring1][=N][\O][C@@H1][C][C][C@][Branch1][Ring1][C][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][#C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C][N][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4282893 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2][N][=C][Ring1][=C][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N] |
CHEMBL4282894 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4282895 | [C][C][Branch1][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring2][Ring1][Ring1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#Branch2][Branch1][C][C][C][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C] |
CHEMBL4282896 | [C][C][=Branch1][C][=O][O][C][C@@][C][=Branch1][C][=O][C][C@@][Branch1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C@@][Ring1][=Branch2][Branch1][C][C][C@@H1][Ring1][#C][C][C@H1][O][C@@][Ring1][Ring1][C@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][#Branch2][Branch1][C][C][C] |
CHEMBL4282897 | [C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Ring2][Ring1][C][=Ring1][=N] |
CHEMBL4282898 | [C][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=C][\C][C][/C][=Branch2][Ring1][#Branch1][=C][\C][=C][C][=C][Branch1][N][N][Branch1][C][C][C][C][C][=Branch1][C][=O][O-1][C][=C][Ring1][=N][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][O].[Na+1].[Na+1] |
CHEMBL4282899 | [C][N][C][C][N][Branch2][=Branch1][Ring1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring2][=Branch1][C][C][Ring2][Ring2][#C] |
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