chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4242129 | [C][C][=C][C][Branch2][Ring2][O][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4242349 | [C][C][C@H1][Branch1][C][C][C@@H1][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][Ring2][P][=O] |
CHEMBL4242353 | [C][=C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][C] |
CHEMBL4242357 | [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][N][C][=C][Branch1][Branch2][C][C][C][C][C][C][C][N][=N][Ring1][N] |
CHEMBL4242359 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][/C][=Branch2][Ring1][Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4242360 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][=C][C][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4242371 | [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][C][Ring1][S] |
CHEMBL4242376 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][=Branch2][N][C][C][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][Ring2][Ring1] |
CHEMBL4242383 | [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][#Branch1][N][C][=N][C][=N][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][Branch1][Ring1][P][C][Ring2][Ring1][=N] |
CHEMBL4242392 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4242641 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4242648 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1] |
CHEMBL4242650 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C@@H1][Branch1][C][O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4242651 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][C][Ring2][Ring2][C] |
CHEMBL4242657 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][#Branch2][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4242658 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL4242659 | [C][O][C][=N][C][=C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][=Branch1][O][C][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4242665 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][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] |
CHEMBL4242947 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][C][C][=N][C][=C][C][Branch1][O][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][#C] |
CHEMBL4242952 | [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][S][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][Ring1][N] |
CHEMBL4242953 | [N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4242955 | [C][C][Branch1][C][C][C][C@H1][Branch3][Ring1][Branch2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][#Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][Branch2][=C][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][Branch2][Branch2][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][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][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
CHEMBL4243230 | [C][C][Branch1][C][C][N][N][=C][Branch2][Ring1][=C][C][#C][C][=C][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][P][Ring1][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=N] |
CHEMBL4243232 | [C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][P][C][Ring2][Ring1][Branch1] |
CHEMBL4243235 | [C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4243237 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O] |
CHEMBL4243245 | [C][O][C][C@H1][C][C][C@@H1][/C][Ring1][Branch1][=C][\C@][Branch1][C][C][C][=Branch2][#Branch2][Branch2][=C][Branch1][N][C@H1][Branch1][C][C][C][O][C][Branch1][C][C][=O][C][C][Ring1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=N][/O][C][C@@H1][Branch2][#Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][#Branch1][=N][C] |
CHEMBL4243509 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] |
CHEMBL4243512 | [C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][C][=C][Ring1][Branch2][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] |
CHEMBL4243517 | [O][=C][Branch2][Branch1][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][Ring1][P][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4243519 | [Cl][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][N][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] |
CHEMBL4243521 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4243796 | [N][#C][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] |
CHEMBL4243803 | [O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][=Branch1][O] |
CHEMBL4243806 | [N][#C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][C][N][=C][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][=C][S][Ring2][Ring1][P][S][C][Ring2][#Branch1][C][=Ring2][Branch1][Branch2] |
CHEMBL4243807 | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4243808 | [C][O][C][=C][C][Branch2][Ring1][P][C@@H1][Branch1][Branch2][C][N][C][C][C][Ring1][Ring2][N][C][=N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch2][Cl] |
CHEMBL4243811 | [C][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][=Branch2][C][C][C@@][Ring1][=Branch1][Ring1][=Branch2][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C@H1][Ring1][P][C][C@H1][Ring2][Ring1][=Branch2][O] |
CHEMBL4244050 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4244051 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][Branch1][C][C][C] |
CHEMBL4244055 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][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] |
CHEMBL4244067 | [C][C][=C][C][=C][Branch2][Ring2][S][N][C][=Branch1][C][=O][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][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4244068 | [C][C][O][C][C][C][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1] |
CHEMBL4244073 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][P] |
CHEMBL4244338 | [C][N][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4244350 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][=C][C][=C][Ring2][Ring1][#Branch1][N][Branch1][C][C][C] |
CHEMBL4244358 | [C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][O][C][C][C][N][Branch1][C][C][C] |
CHEMBL4244359 | [O][=C][Branch2][Ring1][Branch2][/C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4244362 | [C][C@@H1][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][N][C][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring1][#C][=O] |
CHEMBL4244641 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4244642 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][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][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][C][N][C][Ring2][#Branch1][Branch2][=O] |
CHEMBL4244643 | [C][C@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4244646 | [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4244649 | [C][C][C][N][C@@H1][C][O][C][C@H1][Ring1][=Branch1][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S] |
CHEMBL4244962 | [C][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][/C][=C][/C@@H1][Branch1][C][C][O] |
CHEMBL4244977 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][C][C][O][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][P] |
CHEMBL4244979 | [C][O][C][C][O][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] |
CHEMBL4244984 | [C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4244986 | [C][N][N][=N][C][=C][Ring1][Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] |
CHEMBL4244992 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=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] |
CHEMBL4245245 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][=C][Branch2][Ring1][O][C][N][C][=C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][O][N][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4245250 | [C][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4245253 | [C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] |
CHEMBL4245255 | [N][#C][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4245256 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1] |
CHEMBL4245554 | [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][P][C][C][C][O][C][C@@H1][C][N][Branch1][C][C][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4245556 | [C][N][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][=N][C][=C][Ring1][#C][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C] |
CHEMBL4245557 | [O][=C][C][C][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][Ring1][#C] |
CHEMBL4245559 | [C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][=C][O][C][Ring1][=N][=O] |
CHEMBL4245570 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Ring2][O] |
CHEMBL4245572 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][Branch2][C][Branch1][Ring1][O][C][O][C][N][=C][C][=C][Ring1][O][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL4245573 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][N][C][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P][C][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4245840 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O] |
CHEMBL4245842 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245844 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][=C][Branch1][C][C][C][Ring2][Ring1][S][=Ring2][Ring1][Branch2] |
CHEMBL4245848 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][=C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][O][C@][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][#Branch2][C@@][Ring2][Ring2][Branch2][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4245850 | [O][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][O] |
CHEMBL4246113 | [N][=C][Branch1][O][N][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] |
CHEMBL4246121 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][O][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C][O] |
CHEMBL4246128 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4246134 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring2][C][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][Ring1][=Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][=N] |
CHEMBL4246381 | [C][C][C][N][C][C@H1][O][C][C@@H1][Ring1][=Branch1][C][C@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
CHEMBL4246385 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4246390 | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][O][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4246391 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][C][=C][N][=C][S][Ring1][Branch1][C][C][Ring1][N] |
CHEMBL4246394 | [C][C][=C][C][Branch2][Branch1][Branch1][S][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring1][S][=C][C][=C][Ring2][Ring2][C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4246396 | [C][O][C@H1][C][C@H1][Branch2][Ring2][=N][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4246398 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C@H1][C][C@@][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#Branch1][O] |
CHEMBL4246681 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Ring1] |
CHEMBL4246682 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4246684 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4246686 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4246692 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Branch1][C][C][C][Ring2][Ring1][N][=Ring2][Ring1][Ring2] |
CHEMBL4247002 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][S] |
CHEMBL4247003 | [C][C][=C][C][=C][Branch2][Ring2][=N][/C][=C][/S][/C][=Branch2][Ring1][S][=N][/C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][N][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][=N] |
CHEMBL4247007 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4247010 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][N][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4247254 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4247258 | [O][=C][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch2][O].[Br-1] |
CHEMBL4247262 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=N][N][=C][S][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] |
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