chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4245392 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2][=C][Branch1][C][O][C][=C][Ring2][Ring1][=N][O] |
CHEMBL4245663 | [C][O][C][=C][C][Branch2][Ring1][N][/C][=C][/C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][C][=C][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4245668 | [C][C][O][C][Branch1][Ring2][O][C][C][P][=Branch1][C][=O][Branch2][Ring1][O][C][C][C][C][C][N][C][=Branch1][C][=S][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][O][C][C] |
CHEMBL4245671 | [O][=C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=C] |
CHEMBL4245685 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4245953 | [C][=C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][C][=O] |
CHEMBL4245954 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][S][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4245957 | [C][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4245963 | [C][O][C][=C][C][=C][NH1][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring1][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4245964 | [C][C][=C][C][=C][C][Branch2][Branch1][=C][C][=C][C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][=N][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring2][#Branch2] |
CHEMBL4245965 | [C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@@H1][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][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4246239 | [C][C][=C][C][Branch2][Ring1][C][N][C][C][C][S][C][Branch1][Ring1][C][#N][=C][C][=Ring1][#Branch1][C][Ring1][O][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4246244 | [C][C][=C][N][Branch2][Ring1][Branch1][C@@H1][C][C@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Ring1][O][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4246246 | [C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][=N][N][C][C][N][Branch2][Ring1][P][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C][Ring2][Ring2][#Branch1] |
CHEMBL4246248 | [C][C][N][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][S][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4246250 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4246514 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][O][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4246518 | [C][C][=Branch1][C][=O][C][C][N][C][C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL4246519 | [C][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring1][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4246520 | [O][=C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4246522 | [C][O][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring1][=N] |
CHEMBL4246526 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=N][N][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][NH1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4246824 | [C][N][C][C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL4246825 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4246833 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1] |
CHEMBL4246846 | [C][=C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4247106 | [C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] |
CHEMBL4247109 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1] |
CHEMBL4247116 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring1][P][C@@][Ring1][#C][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4247117 | [C][C][O][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Branch1][Branch2][C][=N][C][=C][C][Branch2][Ring2][Branch1][C][=C][N][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][O][C][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring2] |
CHEMBL4247120 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][C][O][C] |
CHEMBL4247378 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][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][#Branch1][C][C][Branch1][C][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Ring1][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][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4247390 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Branch1][P][N][Branch2][Ring1][#C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring2][#C] |
CHEMBL4247391 | [C][C][=C][C][=C][Branch2][=Branch1][Branch1][N][N][=C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][=N] |
CHEMBL4247394 | [C][C][=C][C][=C][Branch2][Ring2][C][C][N+1][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O].[Cl-1] |
CHEMBL4247395 | [O][=C][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247400 | [C][O][C][=C][C][Branch2][Branch1][#Branch1][C@@H1][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][C][C][N][C][C][C][N][C][C][C][N][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][#C][O][C][O][Ring2][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2][O] |
CHEMBL4247401 | [C][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C@H1][Branch1][C][C][C][/C][=C][\C][C][C][C@@][Branch1][C][C][Branch2][Branch1][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O][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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][=C][=O] |
CHEMBL4247411 | [Cl].[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4247416 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][=Branch1][C][=N][C][=C][Branch2][Ring1][=Branch2][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][P][C][C][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][C] |
CHEMBL4247419 | [C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][=N][S][C][Ring2][Ring2][Ring2] |
CHEMBL4247420 | [C][C][C][Branch1][Ring1][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][S] |
CHEMBL4247426 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][N][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Branch1][Ring1][=O][C@@H1][Branch1][C][C][O] |
CHEMBL4247754 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=N] |
CHEMBL4247756 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N+1][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2].[Cl-1] |
CHEMBL4247762 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring2][=Branch1][C][=C][N][Branch2][Ring1][O][C][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][N][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=N] |
CHEMBL4247769 | [C][C][=N][N][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][N][Ring2][Ring1][Ring1][Ring1][S] |
CHEMBL4247770 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4248027 | [Cl][C][=C][C][=C][NH1][C][=C][N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2].[Br-1] |
CHEMBL4248031 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][Branch2][Ring2][=Branch2][C][N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][P][=O] |
CHEMBL4248037 | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4248040 | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4248041 | [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL4248284 | [C][=Branch2][Ring1][Branch1][=C][/C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4248286 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][S][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4248290 | [C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4248304 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][C][Cl][=C][Ring1][=N] |
CHEMBL4248308 | [C][C][C][C][N][Branch2][Ring2][Ring1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][O] |
CHEMBL4248550 | [C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][N][=Ring1][Branch1][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O][=C][Ring2][Ring1][#Branch2] |
CHEMBL4248552 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O] |
CHEMBL4248553 | [C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][S] |
CHEMBL4248557 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248845 | [O][=C][Branch1][C][O][C][C][C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][F][=C][Ring1][=C][F][C][=C][Ring2][Ring1][=Branch1][F] |
CHEMBL4248846 | [C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4248849 | [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C@@][Ring1][O][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4248852 | [O][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
CHEMBL4249083 | [O][=C][NH1][C][=N][C][=C][C][=C][Branch1][=N][C][=C][NH1][N][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4249086 | [Cl].[N][#C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][O][C][=C][C][=C][Branch2][Ring2][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#C][C][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4249087 | [C][O][C][=N][C][=C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=Branch2][O][C][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4249093 | [C][N][Branch2][Ring2][C][C][C][N][Branch1][C][C][C][=C][C][=C][N][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Ring1][=Branch2][=S+1][C][Ring1][=N][=C][Ring1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=C][Ring2][Ring1][C].[Cl-1] |
CHEMBL4249095 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C] |
CHEMBL4249099 | [C][N][N][=C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][O] |
CHEMBL4249100 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4249102 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][Ring1][=Branch1] |
CHEMBL4249364 | [C][C][C][=Branch2][Ring2][Branch1][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][Ring1][S][C][C] |
CHEMBL4249366 | [C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4249370 | [O][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4249372 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4249373 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4249682 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4249684 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O][Ring1][N] |
CHEMBL4249686 | [C][C][C][C][C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=N][Ring1][#C] |
CHEMBL4249690 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][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][N][C][=Branch1][C][=N][N][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][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C] |
CHEMBL4249694 | [C][O][C][=N][C][=C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4249929 | [C][O][C][=C][C][=C][Branch2][Ring1][S][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4249932 | [O][=C][C][=C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4249936 | [N][C][C][C][C][C@H1][Branch2][Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O] |
CHEMBL4249941 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C@H1][Branch2][Ring1][S][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch1][S][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][S][Ring2][Ring2][Ring2] |
CHEMBL4249943 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring2][Ring1] |
CHEMBL4249946 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][N][C][=C][N][=C][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4249950 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][O][C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][Branch2][C@@][Ring2][Ring2][=Branch1][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4249952 | [O][C][C@H1][O][C@@H1][Branch2][Ring1][N][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=Branch2][O] |
CHEMBL4249953 | [O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][=C][O][C][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=C][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][P][Ring2][Ring2][Ring2] |
CHEMBL4250200 | [C][=C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4250202 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4250204 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4250207 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4250486 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250487 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] |
CHEMBL4250489 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][O] |
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