chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4281158 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch2][Ring2][Ring1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=C][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][Branch2] |
CHEMBL4281159 | [C][C][Branch1][C][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2] |
CHEMBL4281160 | [Cl].[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][NH1][Ring1][S] |
CHEMBL4281161 | [C][N][Branch1][C][C][C][C][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4281162 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][=C][Ring2][Ring1][#Branch2] |
CHEMBL4281245 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=C][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][#C] |
CHEMBL4281246 | [C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4281247 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][N][C][=Ring2][Ring1][S] |
CHEMBL4281248 | [C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4281249 | [C][C][Branch1][C][C][N][C][C][C][N][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][S][C][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2] |
CHEMBL4281250 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] |
CHEMBL4281340 | [C][C][C][C][C][C][Ring1][Branch1][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][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4281341 | [O][=C][Branch2][Ring2][Ring1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4281342 | [C][O][C][=C][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][#Branch2][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][C][O][C] |
CHEMBL4281343 | [C][O][C][=C][C][=C][C][Branch2][=Branch2][=N][C][O][C][=C][Branch2][Branch2][Branch2][C][=C][C][=C][Branch2][#Branch1][N][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][O][C][N][C][C][N][Branch2][Branch1][=C][C][C][=C][N][Branch2][Branch1][C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O][N][=N][Ring2][Ring2][=Branch1][C][C][Ring2][Ring2][=N][N][=N][Ring2][Branch1][Ring1][C][=C][Ring2][Branch1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][=Branch1][=Branch2][=O][=C][Ring2][#Branch1][C] |
CHEMBL4281344 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4281430 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][=N][O][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4281431 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][C@H1][C][C][N][C@@H1][Ring1][Branch1][C][O][C][=C][Ring1][=N] |
CHEMBL4281432 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][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] |
CHEMBL4281433 | [C][C][=C][C@][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch1][C][=C][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring1][#Branch2][Branch1][C][O][C@H1][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C@H1][C@@H1][Branch1][#Branch1][C][C@H1][Ring2][Ring1][=N][C][C][Ring1][=Branch1][Branch1][C][C][C] |
CHEMBL4281434 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][#Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C@][Ring2][Ring1][#C][Ring2][Ring2][Ring2][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][S][=O] |
CHEMBL4281435 | [O][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=N][C][=N][C][NH1][N][=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] |
CHEMBL4281436 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4281520 | [C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4281521 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4281522 | [N][#C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4281523 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] |
CHEMBL4281524 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Cl][Cl] |
CHEMBL4281613 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][=C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][=N][Ring1][=C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4281614 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][S][C][N][=C][N][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4281615 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring2][Ring2] |
CHEMBL4281616 | [O][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][Ring2][Ring1][Ring2][Ring1][N] |
CHEMBL4281617 | [O][=C][Branch2][Ring1][=C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][Ring1][N] |
CHEMBL4281708 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281709 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][C] |
CHEMBL4281710 | [C][O][C][C][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4281711 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=N][Ring2][Ring1][Branch1] |
CHEMBL4281802 | [C][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring1][P] |
CHEMBL4281803 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Se][Ring2][Ring1][O] |
CHEMBL4281804 | [O][=C][C][=C][Branch2][Ring1][#C][S][C][=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][Ring1][S][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][O] |
CHEMBL4281805 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][C@H1][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4281806 | [C][C@H1][O][C@H1][Branch2][#Branch2][Branch1][O][C@@H1][C][O][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][C@H1][Branch2][Ring2][Ring1][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][Ring2][=Branch1][=Branch1][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][S][O] |
CHEMBL4281884 | [Cl][C][=C][C][=C][Branch2][Ring1][S][C][N][=C][C][=C][C][Branch1][Branch2][C][=C][C][C][C][Ring1][Branch1][=C][N][Ring1][O][C][=Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4281885 | [N][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4281886 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][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] |
CHEMBL4281887 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][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][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][#Branch1][=Branch1][=O] |
CHEMBL4281888 | [C][C][C][C][N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][C][Branch1][C][N][=N][Ring1][#C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4281889 | [C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=O] |
CHEMBL4281966 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4281967 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Branch2][Branch2][C][=C][C][=C][Branch2][#Branch1][N][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][Branch2][C][=C][C][=C][C][Branch2][Branch1][N][C][=C][N][Branch2][Ring2][P][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][=N][N][=N][Ring2][Branch1][C][C][=C][Ring2][Branch1][P][O][C][=C][C][=C][C][=C][Ring2][#Branch1][Ring1][Ring1][=Branch1] |
CHEMBL4281968 | [Cl].[Cl].[Cl].[Cl].[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][C][Branch1][C][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4281969 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4281970 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O] |
CHEMBL4281971 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4282056 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=N][Ring2][Ring1][Branch2] |
CHEMBL4282057 | [C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4282058 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][C][Branch2][Ring1][Ring1][/C][=C][/C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4282059 | [C][C][C][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N+1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Br-1] |
CHEMBL4282060 | [N][=C][Branch1][C][N][N][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch2][=C][#C][C][C][=Branch1][C][=O][N][Branch2][=N][#Branch2][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][Branch2][O][Ring1][C][C][=Branch1][C][=O][N][Branch2][=Branch2][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][Branch2][#Branch1][#Branch1][C][C][=Branch1][C][=O][N][Branch2][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4282138 | [C][S][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][S][C][C][=Branch1][C][=O][O] |
CHEMBL4282139 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch2][Ring1][P][N][C][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch1][Ring1][S][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4282140 | [C][O][C][=C][C][Branch2][Branch1][=C][C@@H1][C][=C][C][=C][Branch2][Ring2][S][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][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][C] |
CHEMBL4282141 | [O][C][=C][C][=C][Branch2][Ring2][C][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][Cl][Se][Ring2][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][N] |
CHEMBL4282142 | [C][N][C][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][/C][=C][/C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=Branch1][Branch1][=C][Ring1][#C][O][O][C][O][Ring1][#Branch1][C][Ring2][Ring1][O][=O] |
CHEMBL4282143 | [C][O][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4282144 | [C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C@@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4282218 | [O][=C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][N][Ring1][=C][O] |
CHEMBL4282219 | [O][C][=C][C][=C][Branch2][Ring1][S][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][S][C][=C][Ring2][Ring1][O][F] |
CHEMBL4282220 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][Ring1][C][=O][N][=C][Ring1][Branch2][Ring1][N][=N][NH1][Ring2][Ring1][Ring2] |
CHEMBL4282221 | [C][C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4282222 | [Cl][C][=C][C][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S] |
CHEMBL4282223 | [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][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4282305 | [C][C][=N][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring1][S] |
CHEMBL4282306 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][P][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][N] |
CHEMBL4282307 | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C][C][Ring1][S][C][C][Branch1][C][C][C] |
CHEMBL4282308 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][Ring1][=C] |
CHEMBL4282309 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4282310 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][#C] |
CHEMBL4282311 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=C][Ring2][Ring1][S] |
CHEMBL4282312 | [C][C][=Branch1][C][=O][N][C][C][C][=C][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][Branch1][C][O][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4282388 | [C][C][C][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O] |
CHEMBL4282389 | [F][C][Branch1][C][F][C][=C][S][C][Branch2][Ring2][#Branch2][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O] |
CHEMBL4282390 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4282391 | [C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][N][=N][Ring1][=C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4282482 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4282483 | [C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][C][=N+1][Ring1][S][O-1] |
CHEMBL4282484 | [C][O][C][=C][C][Branch2][Ring1][=C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4282485 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][P][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][O][O][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring1][=N][=C][N][Ring2][Ring1][#Branch1][C][C] |
CHEMBL4282563 | [C][N][C][C][O][C][Branch2][Ring1][#Branch2][C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][Ring2][Ring1][Branch1] |
CHEMBL4282564 | [C][O][C][=N][C][=C][Branch2][Ring1][C][C][C][=C][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][N][=Ring1][O][C][=C][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4282565 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][S][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4282566 | [O][=C][Branch1][S][N][/N][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4282567 | [C][N][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Cl][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4282568 | [C][C][N][C][=Branch1][C][=N][N][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4282644 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=N][Ring1][=C] |
CHEMBL4282645 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282646 | [C][C@H1][O][C][=Branch1][C][=O][/C][=C][/C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C@@H1][Ring2][Ring1][Ring1][O] |
CHEMBL4282647 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4282648 | [C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][N][=C][Branch1][C][/C][C][N][=N][NH1][N][=Ring1][Branch1] |
CHEMBL4282720 | [C][O][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][#N][C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C] |
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