chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4293718 | [O][=C][C@H1][C@@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][#Branch1][C][C][Ring1][P] |
CHEMBL4293719 | [C][C][C][C][C][C][C][O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][O][C@H1][Branch1][Ring1][C][N][C@H1][Ring2][Ring1][Ring2][O] |
CHEMBL4293720 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][C][Br][=C][C][=C][Ring2][Ring1][Branch1][Ring1][S] |
CHEMBL4293721 | [O][=C][C][C][C][N][Ring1][Branch1][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] |
CHEMBL4293813 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][Ring1][P] |
CHEMBL4293814 | [C][=C][C][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293815 | [O][=C][Branch1][C][O][C][S][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4293816 | [O][=C][Branch1][N][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4293898 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2] |
CHEMBL4293899 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4293900 | [C][O][C][C][C][C][C][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4293901 | [N][#C][C][=C][N][=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][Branch1] |
CHEMBL4293902 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=C][Ring1][#C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4293903 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=N][O][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4288941 | [C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4288942 | [O][=C][Branch1][C][O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4288943 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2] |
CHEMBL4288944 | [Cl][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch2] |
CHEMBL4288945 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][F][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4289024 | [O][C][=C][C][=C][Branch2][Ring2][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Se][Ring2][Ring1][O][C][=C][Ring2][Ring1][P] |
CHEMBL4289025 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4289026 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][Ring2][Ring1][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4289027 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][=Branch1][C][O][C][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Branch2][=O][=C][Ring2][Ring2][P] |
CHEMBL4289028 | [C][C@H1][O][C@H1][Branch2][=Branch2][Ring2][O][C@H1][C@H1][Branch2][Branch2][Ring1][O][C@H1][C@H1][Branch2][#Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][=C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][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@][Ring2][Ring1][Ring1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][#C][C][C][Ring2][Ring2][=Branch2][Branch1][C][C][C][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring1][O][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][N][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][=Branch1][O] |
CHEMBL4289029 | [O][=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][Cl][Cl] |
CHEMBL4289107 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][N][Ring2][Ring1][Branch2][Ring1][=C][C][C][Ring2][Ring1][#C] |
CHEMBL4289108 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][C][C][C][O][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][S] |
CHEMBL4289109 | [C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4289110 | [O][=C][Branch1][C][O][C][S][C][NH1][C][=Branch1][C][=O][S][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][Ring1][O] |
CHEMBL4289183 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=N][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2] |
CHEMBL4289184 | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch1][#C][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P] |
CHEMBL4289185 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][/C][=C][\C][C][C][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4289186 | [C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][Ring1] |
CHEMBL4289187 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4289271 | [N][/C][Branch2][Ring1][=Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][C][=C][Ring1][#Branch2][=N][\O] |
CHEMBL4289272 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][#Branch1] |
CHEMBL4289273 | [C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][S][C] |
CHEMBL4289274 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][N][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][N][Ring1][N][N][=Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4228851 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch2][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][O][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring2][Ring1][C][C][C][C@H1][Ring2][Branch1][Ring1][C] |
CHEMBL4228852 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4228853 | [C][/C][=C][/C@H1][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][O][C][C@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][C@H1][O][C@@H1][Branch1][Branch1][O][Ring2][Ring1][=N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O] |
CHEMBL4228854 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=C][C][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][O][C][C@@H1][Ring2][Ring2][=C][Ring2][Ring2][O] |
CHEMBL4228855 | [C][C][C][C][C][C][C][C][C][N][C][C][=C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#C][Ring1][#Branch2][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring2][Ring1][#Branch2] |
CHEMBL4228856 | [C][O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=C][Ring2][Ring1][O][O][C@@H1][O][C][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C] |
CHEMBL4228857 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4228858 | [O][=C][Branch1][C][O][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=N][C][=N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][=N][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][O] |
CHEMBL4228859 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Ring1][Branch2][C] |
CHEMBL4228860 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring1][S][S][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][NH1][Ring1][P][=C][Ring2][Ring1][O] |
CHEMBL4228936 | [C][O][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][N][O] |
CHEMBL4228937 | [O][=C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4228938 | [C][C][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][Branch2][Ring1][O][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][=Ring2][Ring1][=N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] |
CHEMBL4228939 | [C][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Branch2][N][=C][Ring2][Ring1][=C] |
CHEMBL4228940 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][=C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][C][=Ring1][#C][C][C][N][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1] |
CHEMBL4229026 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][N] |
CHEMBL4229027 | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][O][C@@][C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][=Branch2][C][C][C@@H1][Ring2][Ring1][Branch2][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4229028 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][\C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] |
CHEMBL4229122 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Ring1][Ring1][C][N][=C][Branch1][C][N][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][=C][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][O] |
CHEMBL4229123 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][N][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4229124 | [C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][=N][C][NH1][C][=C][C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][C][Ring2][Branch1][C][=Ring2][Ring1][C] |
CHEMBL4229125 | [C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring1][C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][Ring2][Ring1][Ring1][C][Branch1][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4229126 | [C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][Branch1][C][C][C][=C][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4229127 | [C][O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C@@H1][Branch1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C@@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1] |
CHEMBL4229206 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][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][Ring1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Ring1][Branch1] |
CHEMBL4229207 | [C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4229208 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4229209 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] |
CHEMBL4229210 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch2][Ring1][P][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch1] |
CHEMBL4229211 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4289299 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][N] |
CHEMBL4289300 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][S][C][C][C][P+1][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][S][C][C][C][P+1][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][S][C][C][C][P+1][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=N+1][C][=Branch2][Ring1][=Branch1][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][#Branch1][B-1][Ring1][O][Branch1][C][F][F][C][=C][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][S][C][C][C][P+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4289301 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][N][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][N] |
CHEMBL4289302 | [C][C][=C][C@][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch2][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C@][Ring2][Ring1][=Branch1][Branch1][C][O][C@H1][Ring2][Ring1][#Branch2][O][C@H1][C@@H1][Branch1][#Branch1][C][C@H1][Ring2][Ring1][=N][C][C][Ring1][=Branch1][Branch1][C][C][C] |
CHEMBL4289303 | [O][C][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
CHEMBL4289386 | [C][C][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][C][N][=O] |
CHEMBL4289387 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2][O] |
CHEMBL4289388 | [C][S][=Branch1][C][=O][=Branch1][C][=O][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][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4289389 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][O][C][Ring1][P][=O] |
CHEMBL4289390 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C@H1][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=N][Ring2][Ring1][Branch1] |
CHEMBL4289463 | [C][C][N][C][=C][C][Branch2][Ring2][#Branch1][C][=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][Ring2][Ring1][Ring2][O][C][=C][C][=N][Ring2][Ring1][N] |
CHEMBL4289464 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][#Branch1][=Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][C][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][O][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Ring2][Ring2][O][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][S][O] |
CHEMBL4289465 | [N][#C][C][=C][C][=N][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring2][=Branch2] |
CHEMBL4289466 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][C][N][=C][N][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] |
CHEMBL4289467 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][N][=C][C][=N][Ring1][=Branch1] |
CHEMBL4289468 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4289469 | [C][O][/N][=C][\C][=Branch1][C][=O][N][Branch2][=Branch1][=N][C][C][C][N][C][C][N][Branch2][Branch1][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch2][Ring1][P][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][Ring2][=N][/O][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][=C][=C][N][Ring2][Ring1][=C][C][C][C][Ring1][Ring1][C][C][Ring2][Ring2][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Branch1][#Branch1] |
CHEMBL4289546 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289547 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][#C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][O][=O] |
CHEMBL4289548 | [C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4289549 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2] |
CHEMBL4289550 | [O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][NH1][Ring1][N][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4289551 | [C][#C][C][N][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4289634 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2] |
CHEMBL4289635 | [C][C][Branch1][C][C][C][C][C@][Branch1][Ring1][C][O][C][C][C@][Branch1][C][C][C][=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][#Branch2][C][Ring2][Ring1][#C] |
CHEMBL4289636 | [C][O][C][=C][C][Branch2][Ring2][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][C][N][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring1][N][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4289637 | [C][C][=C][C][=C][O][C][Branch2][Branch2][Ring1][C][=C][C][=C][Branch2][#Branch1][#Branch1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][Ring1][C][N][C][C][N][Branch2][Branch1][=Branch1][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][S][C][C][Ring2][Ring2][#Branch1][N][=N][Ring2][Ring2][=N][C][=C][Ring2][Branch1][N][=C][C][=Branch1][C][=O][C][Ring2][=Branch1][Ring1][=C][Ring2][=Branch1][#Branch1] |
CHEMBL4289638 | [C][N][Branch1][C][C][C@H1][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@@H1][Ring1][O][O][C][=C][C][=C][Branch2][#Branch1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C@H1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C@@H1][Ring1][O][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Branch1][#C] |
CHEMBL4289639 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4289640 | [C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4289731 | [Cl][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4289732 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][S][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][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=N][=O] |
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