chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4278541 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Se][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL4278542 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][Ring1][=N].[Cl] |
CHEMBL4278543 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=C] |
CHEMBL4278544 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=N][O][C][C][C][N][C][=Branch1][C][=O][C][O][C][C@][Ring2][Branch1][=Branch2][Branch1][C][C][O] |
CHEMBL4278545 | [C][N][Branch2][Branch1][Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][O][C][Ring1][Ring2][C][C][Ring1][N][N][Ring2][Ring1][=Branch2][C][=Ring2][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4278621 | [C][N][C][=C][Branch2][Ring2][#C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][C][=N][Ring2][Ring1][=C] |
CHEMBL4278622 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][P][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C@][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2][C][C][Ring2][Ring2][Ring1][Branch1][C][C][C] |
CHEMBL4278623 | [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][=C][Ring2][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4278624 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O] |
CHEMBL4278625 | [C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL4278626 | [N][C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4278627 | [O][=C][Branch2][Ring1][S][C][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][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][O] |
CHEMBL4278713 | [C][O][C][=C][C][=C][Branch2][Ring1][O][/C][=C][/S+1][Branch1][C][O-1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][O] |
CHEMBL4278714 | [C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][Branch1][Branch1][C][C][C][C][O][C][Ring1][=C][=O] |
CHEMBL4278715 | [C][O][C][=C][C][Branch2][Ring2][#Branch2][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4278716 | [Cl].[N][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4278717 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O] |
CHEMBL4278803 | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][C][=C][Branch2][Branch1][=Branch1][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][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][=Branch1][C][=O][O][C][Branch1][C][N][=O][N][=N][Ring2][Ring2][=Branch1] |
CHEMBL4278804 | [C][O][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4278805 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring1][S] |
CHEMBL4278806 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][#C][O][C][C][C][C][C][N][C][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][=N][=C][Ring2][Ring1][P] |
CHEMBL4278807 | [C][C@@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][N][N][C][C][Branch1][C][C][Branch1][C][C][C][#N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4278882 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][C][C@H1][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=N][C][=N][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][N][Ring1][Branch2][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4278883 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4278884 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4278885 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][C@H1][Branch2][Branch1][=C][C@@H1][Branch1][C][C][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][C@@H1][C][C@H1][Branch1][C][I][C@][Branch1][C][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=Branch1][C][=O][C@][Ring1][N][Branch1][C][C][C@H1][Ring2][Ring1][C][C][C][C@@][Ring2][Ring1][=Branch1][Ring2][Ring1][=N][C][O][C][Ring2][Ring2][#Branch1][=O] |
CHEMBL4278965 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C] |
CHEMBL4278966 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#C] |
CHEMBL4278967 | [C][C@H1][Branch2][Ring2][=N][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][C][=Branch1][C][=O][N][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][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4278968 | [C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][N+1][Branch1][C][O-1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N+1][Ring2][Ring1][=N][O-1] |
CHEMBL4278969 | [N][#C][C][=C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][Ring1][=C][N][C][C][C@H1][C][C][C@H1][Branch1][C][N][C][C][Ring1][#Branch1] |
CHEMBL4279051 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4279052 | [C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][N][C][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][Branch1][C][F][=C][Ring1][=C][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4279053 | [C][C][=C][C][Branch2][Ring2][Ring1][O][C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][O][Ring1][P][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring2][Ring1][#C][=Ring1][Branch2] |
CHEMBL4279136 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch2][Ring1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4279137 | [Cl][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=C][Branch2][Ring2][Ring2][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4279138 | [C][O][C][C][C][C][C][N][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][S][C][=Ring2][Ring1][C][Ring2][Ring1][=Branch1] |
CHEMBL4279139 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1][=C][Ring1][=C][C][=C][Ring2][Ring2][Ring2][Ring2][Ring1][#Branch2] |
CHEMBL4279140 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4279219 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O] |
CHEMBL4279220 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL4279221 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4279222 | [C][C][Branch1][C][C][Branch1][P][C][Branch1][C][O][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4279223 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][=N][=C][C][=C][C][=C][C][Branch2][=N][C][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][Branch2][Branch1][=N][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][Branch2][Branch1][=N][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][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][Ring2][=Branch2][Branch1][C][Ring2][=Branch2][P] |
CHEMBL4279312 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][S][Ring1][S] |
CHEMBL4279313 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring2][#Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][=C][Ring1][=N][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][Branch2][C][=N][Ring2][Ring2][Branch1] |
CHEMBL4279314 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][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] |
CHEMBL4279315 | [O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=N][/N][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4279316 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][#Branch2][N][C][C][C][C][N][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][O] |
CHEMBL4279317 | [O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][Branch1][Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1] |
CHEMBL4279402 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring1][Ring1] |
CHEMBL4279403 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279404 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][N][C][=C][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][=Branch1][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][Ring1][=O][N][=N][Ring2][Ring1][#Branch2] |
CHEMBL4279405 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] |
CHEMBL4279406 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL4279488 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=N][O] |
CHEMBL4279489 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4279490 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=C][N][Ring1][=C][C] |
CHEMBL4279491 | [C][O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4279579 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4279580 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][#Branch2][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][C][=C][N][Branch2][Ring2][C][C][C][O][C][C][O][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][N][=N][Ring2][Ring2][#Branch1][=C][C][=C][Ring2][Branch1][=N][Ring2][Branch1][Ring1] |
CHEMBL4279581 | [C][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][S][Ring2][Ring1][O][=Branch1][C][=O][=O] |
CHEMBL4279582 | [C][C@H1][Branch2][Ring1][P][N][C][=N][C][Branch1][=C][C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279583 | [C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2].[Cl].[Cl] |
CHEMBL4279673 | [C][C][C][C][N][C][=N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=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] |
CHEMBL4279674 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch1][S][C][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][N][=N][Ring1][Branch2][=C][\C][C][C@@][Branch1][C][C][O][C@H1][Ring2][Ring1][Branch1][Ring1][Ring2] |
CHEMBL4279675 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279676 | [O][=C][Branch2][Ring1][#Branch1][N][/N][=C][\C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4279764 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=C][Branch2][Ring1][#C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4279765 | [Cl][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=N][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=N][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][N] |
CHEMBL4279766 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][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] |
CHEMBL4279767 | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][C][C@@][Branch1][C][O][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring2][=C][Ring2][Branch1][Branch1][C][Ring2][Ring2][=Branch2][Branch1][C][C][C] |
CHEMBL4279768 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N] |
CHEMBL4279769 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][Ring2][Branch1][C][C][O] |
CHEMBL4279867 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][NH1][C][Ring1][N][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4279868 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][S][Ring2][Ring1][Ring1] |
CHEMBL4279869 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4279870 | [N][#C][C][=C][C][=C][Branch2][Ring2][#C][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][P] |
CHEMBL4279945 | [O][=S][=Branch1][C][=O][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][C][N][Ring2][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4279946 | [C][C][C][C][S][C][=C][Branch1][=Branch1][S][C][C][C][C][C][=Branch1][C][=O][N][Branch2][=C][#Branch1][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][Branch2][N][#C][C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C][Ring2][=Branch2][#C][=O] |
CHEMBL4279947 | [C][O][C][C][O][C][C][O][C][C][O][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4279948 | [N][#C][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL4279949 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4280028 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C@H1][C][C][C@H1][Branch2][Ring1][#C][N][C][=N][C][=N][N][C][=C][C][Branch1][#C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][P][Ring1][=N][C][C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
CHEMBL4280029 | [C][C][NH1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Ring1][#C][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4280030 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4280031 | [O][=C][Branch2][Ring1][Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][Ring2] |
CHEMBL4280110 | [C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4280111 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4280112 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=N][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][=C][Ring2][Ring2][C] |
CHEMBL4280113 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=C] |
CHEMBL4280114 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] |
CHEMBL4280195 | [C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
CHEMBL4280196 | [C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][Ring2][Ring1][#C] |
CHEMBL4280197 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4280198 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][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] |
CHEMBL4280285 | [C][C][C][C][Branch2][Ring2][=Branch1][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][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring2][Ring1][#Branch2] |
CHEMBL4280286 | [C][O][C][=C][C][Branch1][#C][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][O] |
CHEMBL4280287 | [O][=C][Branch2][Ring1][N][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4280288 | [C][O][C][=C][C][=C][O][C][=C][Branch2][Ring1][=C][/C][=C][\C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][=C][Ring1][#C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
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