chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4206836 | [C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][Branch1][S][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Ring1][#C][=C][Ring2][Ring1][O][F] |
CHEMBL4206837 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][O][Ring2][Ring2][C] |
CHEMBL4206838 | [C][C][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4206839 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4206840 | [C][O][C][=Branch1][C][=O][C][C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][#Branch2][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][Ring1][=C][=C][Ring2][Ring1][Branch1][C][C][=Branch1][C][=O][O][C] |
CHEMBL4206933 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][O][=O][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][Ring2][Ring1][P] |
CHEMBL4206935 | [N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Ring1][#C][F] |
CHEMBL4206936 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] |
CHEMBL4206937 | [C][O][C][=C][C][=N][C][=N][C][Branch2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4207040 | [C][S][C][=C][C][=C][Branch2][Ring1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4207041 | [O][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][NH1][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][=N][Ring2][Ring1][Ring2] |
CHEMBL4207042 | [C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch2][Ring2][=Branch2][O][C@H1][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][Branch1][C][F][F][=C][Ring2][Ring1][=N] |
CHEMBL4207043 | [C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][O][C][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][N][Ring1][=C][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch1] |
CHEMBL4207044 | [C][C][N][C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][N][C][=Branch1][C][=N][C][Cl][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][=C][Ring2][Ring1][=C][C][Ring2][Ring1][P][=O] |
CHEMBL4207131 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4207132 | [C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] |
CHEMBL4207133 | [C][S][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][NH1][N][=C][Branch1][C][N][C][Ring1][S][=Ring1][=Branch1] |
CHEMBL4207134 | [C][#C][C][S][C][=N][S][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][S] |
CHEMBL4207228 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][Branch1][=C][C][N][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][NH1][C][Ring2][Ring1][O][=Ring1][=C][O][Ring2][Ring1][#C] |
CHEMBL4207229 | [C][C][Branch1][C][C][O][C@@H1][C@H1][Branch1][Ring2][O][Ring1][=Branch1][C@H1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Ring1][#Branch1][C@][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Ring2][Ring1][#Branch1][Ring1][=N][O][C][O][Ring1... |
CHEMBL4207230 | [O][=C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][N][Ring2][Ring1][Ring1] |
CHEMBL4207231 | [O][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=N][C][=N][C][NH1][C][=C][Branch1][C][Br][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][Ring1][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4207232 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL4207319 | [O][=C][C][C][C][C][C][Ring1][Ring1][N][Ring1][#Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4207320 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][Ring2][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Ring2]... |
CHEMBL4207321 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4207322 | [C][C][=C][C][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][O][N][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][=Ring1][N][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4207323 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4207413 | [C][N+1][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4207414 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch2][=... |
CHEMBL4207415 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4207416 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C@@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Bra... |
CHEMBL4207417 | [C][C][C][Branch1][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][Ring2][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][=Bra... |
CHEMBL4207418 | [C][C][C][N][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4207419 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][Branch1][C][N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][N][Ring1][#Branch1] |
CHEMBL4207509 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring1][#C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4207510 | [C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C... |
CHEMBL4207511 | [O][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] |
CHEMBL4207512 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C@][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][=Branch2] |
CHEMBL4207513 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][N][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][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][=Branch2] |
CHEMBL4207514 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][O][N][C][C][C][Branch1][Ring1][C][#N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][P] |
CHEMBL4207609 | [C][O][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][NH1][C][=N][C][=N][C][Branch1][P][C][=C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][S][Ring2][Ring1][N] |
CHEMBL4207610 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Branch1][O] |
CHEMBL4207611 | [O][=C][Branch1][#Branch2][N][N][=C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4207612 | [O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][N][=Ring1][#Branch2] |
CHEMBL4207706 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P] |
CHEMBL4207707 | [O][=C][Branch2][Ring1][Branch1][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring2][C][C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C]... |
CHEMBL4207708 | [C][N][C][=C][C][C][=Branch1][N][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][Ring1][#Branch2][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch2] |
CHEMBL4207709 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4207710 | [C][N][C][=C][Branch2][=Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][N][Branch2][Branch1][Ring2][C][C][O][C][=C][C][=N][C][=C][C][Branch2][Ring1][=C][O][C][C][=C][C][=C][Branch1][P][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][=C][Ring2][Ring... |
CHEMBL4207711 | [C][C@H1][C][C@H1][C][S][C][Branch1][C][N][=N][C@@][Ring1][#Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][P] |
CHEMBL4207812 | [C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=Branch2][N][=C][Branch2][Ring1][O][N][C][C][C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][C][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][C][C@@H1][Ring2][Ring1][N][C][O] |
CHEMBL4207813 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][P] |
CHEMBL4207814 | [C][C][Branch1][C][C][C@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][N][=C][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][=N][=N][Ring2][Ring1][=Branch1] |
CHEMBL4207815 | [O][=C][Branch2][Branch1][=Branch2][C][C][C][=C][N][=C][Branch2][Ring2][O][N][C][C][C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][=C][S][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][N][=C][Ring2][Ring1][=C][N][O][C][C][=C... |
CHEMBL4207816 | [C][O][C][=C][C][Branch1][Branch1][C][C][C][O][=C][C][=C][Ring1][#Branch2][O] |
CHEMBL4207817 | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=S][N][C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL4207818 | [C][C][C][C][C][C][C][C][C][/C][=C][\C][C][/C][=C][/C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] |
CHEMBL4207911 | [2H][C][Branch1][C][2H][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4207912 | [Cl].[N][C][=N][C][=C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring1][S] |
CHEMBL4207913 | [C][C@H1][C@H1][C@H1][Branch2][Branch1][Branch2][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][/C][=Branch2][Ring1][Branch1][=N][\N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C@@][Ring2][Ring1][=C][Ring2][R... |
CHEMBL4207914 | [C][N][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Ring1][C][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#Branch2][C][=... |
CHEMBL4207915 | [O][=C][Branch2][Ring2][C][N][C][S][C][=C][Branch2][Ring1][C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4207916 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][O][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch... |
CHEMBL4207917 | [C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][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][=Branch1][C][=O][N][Bra... |
CHEMBL4207918 | [C][O][C][=C][C][Branch2][Branch1][C][N][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch1][Branch1][O][O][Ring1][Branch2][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][#Branch1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C... |
CHEMBL4208008 | [C][N][C][C][C@@][Branch1][C][O][Branch2][Ring2][=Branch1][C][#C][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][=N][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][O][=O] |
CHEMBL4208009 | [C][C][O][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][C@@H1][Branch1][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=... |
CHEMBL4208011 | [C][O][C][=C][Branch1][P][O][C][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][Ring2][Ring2][C][=Ring1][P] |
CHEMBL4208012 | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1] |
CHEMBL4208013 | [C][C@H1][/C][=C][/C][=Branch1][C][=O][N][C][C][S+1][Branch1][C][O-1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] |
CHEMBL4208014 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][Branch2][Ring1][=N][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][Ri... |
CHEMBL4208015 | [C][C][C][C][C][C][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4208016 | [C][=C][C][C][C@H1][C@][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][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][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch2][C][C][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4208017 | [O][=C][Branch2][Branch1][Ring2][N][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch2][Ring1][Ring1][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Br... |
CHEMBL4208018 | [C][C][N][Branch1][Ring1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][C][C][=N][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][=C][Ring1][O][=N][C][Branch1][O][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4176380 | [C][N+1][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][P].[I-1] |
CHEMBL4176417 | [C][O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][C][NH1][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][P][=Ring2][Ring1][#Branch1] |
CHEMBL4176420 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4177449 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][=Ring2][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F... |
CHEMBL4177474 | [O][=C][Branch2][Ring1][C][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1] |
CHEMBL4177482 | [N][C][NH1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Ring2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4208112 | [O][=C][Branch2][Ring1][N][N][C][=C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][N][=C][Ring1][N][C][=N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4208113 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=Ring1][P][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4208115 | [C][C][=C][N][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][S] |
CHEMBL4208116 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch... |
CHEMBL4208219 | [O][C@@H1][C@H1][Branch1][C][O][C][N][C@@H1][Ring1][=Branch1][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4208220 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch1][/C][=N][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4208221 | [C][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][/C][=Branch1][S][=N][/O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4208222 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][F] |
CHEMBL4208313 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][O][C] |
CHEMBL4208314 | [C][C@@H1][Branch2][Ring2][S][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Ring2][N][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Bran... |
CHEMBL4208315 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C@@H1][Ring2][Ring1][=N][C] |
CHEMBL4208316 | [N][=C][Branch1][C][N][N][C][=Branch1][C][=O][C][=N][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][N] |
CHEMBL4208317 | [C][N][Branch2][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][C@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring2][C][C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N]... |
CHEMBL4208318 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][S][Ring1][Branch1] |
CHEMBL4208410 | [O][C@H1][C][C@H1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][P][C@H1][Ring2][Ring1][Ring2][O] |
CHEMBL4208411 | [Cl][C][=C][C][=C][Branch2][Ring2][=N][C][N][C][=C][Branch2][Ring1][P][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][Ring1][=Branch2][N][=N][Ring2][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring2][C] |
CHEMBL4208413 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][N][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4208414 | [C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O] |
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