chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4244011 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][N] |
CHEMBL4244017 | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Branch1][C][C][C] |
CHEMBL4244021 | [C][O][C][=N][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring1][#C][C][=C][Ring2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4244290 | [N][#C][C][=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][Ring2][Ring1][C] |
CHEMBL4244291 | [O][=C][Branch2][Ring1][=N][N][C][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
CHEMBL4244294 | [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][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring1][P] |
CHEMBL4244296 | [C][C][C][C][C][C][C][C][C][C][C][C][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] |
CHEMBL4244297 | [O][=N+1][Branch1][C][O-1][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] |
CHEMBL4244593 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][C][Ring1][=N][=C][Ring2][Ring1][#Branch1] |
CHEMBL4244594 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][O][C][C][C][C][C][C][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][=C][C@@][Ring2][Ring2][N][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4244597 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C@H1][C@H1][Branch1][C][O][C][C@@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][O][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4244598 | [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4244604 | [C][S][C][C][C@H1][Branch2][Branch1][=Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][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][#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][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][C][N][=O] |
CHEMBL4244605 | [N][#C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=Branch1][S][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4244608 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][P] |
CHEMBL4244921 | [C][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] |
CHEMBL4244928 | [C][=C][Branch1][C][C][C][=Branch1][C][=O][N][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][C] |
CHEMBL4244929 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring2][Ring1][O][C][C@@H1][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring1][=C] |
CHEMBL4244930 | [C][N][C][C][N][Branch2][Ring2][S][C][=Branch1][C][=O][C][O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][=Branch2][O][C][C][Ring2][Ring2][Ring2] |
CHEMBL4244932 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][P] |
CHEMBL4244933 | [O][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4244935 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4244937 | [C][C@][C][C][C@H1][C@@H1][Branch1][P][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][S][C][C][Branch1][Ring1][C][=O][=C][Ring2][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4244939 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][=Branch1][Ring1][O][C@@H1][C@@H1][Branch1][Ring1][C][O][N][C@H1][Branch2][Ring2][=C][C][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][P][O] |
CHEMBL4245228 | [O][=C][Branch1][S][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4245230 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=Branch2][Ring1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4245231 | [O][C][=N][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL4245235 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][N][C][C][Branch2][Ring1][S][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4245481 | [S][=C][Branch2][Ring1][S][N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4245482 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][#C] |
CHEMBL4245488 | [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][Ring2][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][N][=C][NH1][Ring1][Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4245489 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4245490 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][N] |
CHEMBL4245507 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
CHEMBL4245804 | [O][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][S][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=C][Ring1][=N] |
CHEMBL4245805 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4245807 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4245809 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4245811 | [C][C][Branch1][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][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][Ring1][S] |
CHEMBL4246076 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] |
CHEMBL4246077 | [Cl][C][=N][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][S][=N][Ring2][Ring1][=N] |
CHEMBL4246078 | [O][=C][Branch2][Ring1][=N][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4246084 | [Cl][C][=C][C][=C][S][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4246338 | [C][C][Branch1][C][C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O][C][Branch1][C][C][C] |
CHEMBL4246339 | [O][=C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4246345 | [C][O][C][=C][Branch1][P][N][C][C@@H1][C][C][O][C][C@@][Ring1][=Branch1][Branch1][C][N][C][Ring1][#Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring2][Ring1][=N][=Ring1][=C].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL4246346 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][O][Ring1][#C] |
CHEMBL4246348 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4246624 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] |
CHEMBL4246627 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4246628 | [O][=C][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4246630 | [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][=C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4246634 | [C][C][O][/N][=C][\C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][Ring1][#C] |
CHEMBL4246936 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4246937 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=N][N][=C][Ring1][N][C][Ring2][Ring1][=Branch2][=Ring1][#C][C][O][Ring2][Ring1][=C] |
CHEMBL4246944 | [F][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] |
CHEMBL4246951 | [Br][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][N][Ring1][S] |
CHEMBL4247215 | [O][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4247219 | [C][C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4247220 | [C][=C][C][=Branch1][C][=O][C@@][C][=Branch1][C][=O][O][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][C][=Branch1][C][=O][O][C][C@@][Ring1][N][Ring1][=Branch1][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][#Branch1][C@H1][Ring2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C] |
CHEMBL4247222 | [C][O][C][=C][C][Branch2][Branch1][Branch2][C@@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][N][C][C][C][C][N][C][C][C][N][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][S][O][C][O][Ring2][Ring1][S][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][O][O] |
CHEMBL4247232 | [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][S][N][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][S][C][=C][Ring1][P] |
CHEMBL4247560 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4247561 | [O][=C][Branch2][Ring1][=Branch2][C][C][N][C][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][NH1][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][Branch2] |
CHEMBL4247562 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Ring1][=Branch2][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4247566 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][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] |
CHEMBL4247568 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][#C][C][O][Ring2][Ring1][Ring2] |
CHEMBL4247580 | [C][S][C][C][C@][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4247590 | [O][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][Ring1][#C] |
CHEMBL4247855 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4247856 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][S][=C][Ring2][Ring1][Branch2] |
CHEMBL4247863 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][C][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4247869 | [O][=S][=Branch1][C][=O][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4247870 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][S][=N][C][=C][Ring2][Ring1][#Branch1][Cl][=C][Ring2][Ring1][#C] |
CHEMBL4247871 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][#Branch1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring2][Ring1][P] |
CHEMBL4248145 | [C][C][=C][C][Branch2][Ring2][#C][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][P][O][C][C][=Branch1][C][=O][O] |
CHEMBL4248148 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][=N][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4248152 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=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] |
CHEMBL4248154 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Branch1][C][O][N][=N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL4248160 | [C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][Branch2][C][C][C][N][C][Ring1][Ring2][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][O][C][C][C][Ring1][Ring1] |
CHEMBL4248407 | [O][=C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4248408 | [O][=C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4248415 | [C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Si][Branch1][C][C][Branch1][#C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][P][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4248418 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Ring1][=Branch2][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4248426 | [O][=C][Branch2][Ring2][Branch2][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4248427 | [C][C@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Si][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4248689 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][B][Branch1][C][O][O] |
CHEMBL4248694 | [Cl].[O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][#Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C] |
CHEMBL4248698 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring2][=Branch2][N][C][=N][C][=N][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][N][=C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][Ring2][Ring1][=C] |
CHEMBL4248703 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][Ring2][Ring1][Ring1][=Ring1][O] |
CHEMBL4248709 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4248716 | [N][=C][Branch1][C][N][N][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][C][N][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4248942 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][O] |
CHEMBL4248945 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][N][=C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4248950 | [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][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4249221 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=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] |
CHEMBL4249222 | [O][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] |
CHEMBL4249224 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][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][S][C@@][Ring2][Ring2][=C][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4249226 | [C][N][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][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][#Branch2] |
CHEMBL4249233 | [O][=C][Branch1][=Branch2][C][C][C][S][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
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