chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL592631 | [O][C@][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][C][C][N][Branch1][N][C][C][C][C][/C][=C][\C][C][Ring2][Ring1][N][C][C@@][Ring1][=C][C][C@@H1][/C][=C][\C][C][C][C][N][Ring1][Branch2][C@@H1][Ring2][Ring2][Branch2][Ring1][O] |
CHEMBL592632 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][=N][/C][=C][/C][C][N][C@@H1][Branch1][#Branch1][C][C][C][Ring1][Branch2][=O][C][C@][C][N][C][C][C][C][/C][=C][\C][C][C@][Branch1][C][O][Branch2][Ring2][Branch1][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][Branch1][C][O][C][=C][C][=C][Ring... |
CHEMBL1076769 | [C][O][C][=C][C][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][O][C][C@@][Branch1][C][O][C][O][C@@H1][Branch2][Ring2][=C][O][C][C@H1][O][C@@H1][Branch2][Ring1][=Branch2][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][=N][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][... |
CHEMBL592890 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL557146 | [C][C][C][C][N][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O-1][O][C][Branch3][Ring2][=Branch2][#C][C][=C][C][=C][Branch3][Ring2][Branch2][P][O][P][=Branch1][C][=S][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][P][N][Branch1][Branch1][C][C][C][C][C][P][=Branch1][C][=O][Branch1][C]... |
CHEMBL262718 | [C][O][C][C][Branch2][Branch2][N][C][=Branch1][C][=O][O][C@@H1][C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@H1][Branch2][Branch1][Ring2][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][C][C][C][C@H1][Branch1][C][C][C@H1][B... |
CHEMBL263010 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Bran... |
CHEMBL415620 | [C][S][C][C][C@H1][Branch2][#Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][N][Branch2][Branch1][=C][C][=Branch1][C][=O][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][N][N][C][=Branch1][C][=... |
CHEMBL1076895 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@H1][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Branch1][Ring1][C][... |
CHEMBL1084615 | [O][=C][Branch1][=N][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL1077095 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][N][C][Branch1][Ring1][N][N][=N][Ring2][Ring1][N] |
CHEMBL1082252 | [C][C][C@@][C][=C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N+1][Branch1][C][O-1][Branch1][#Branch1][C][C][C][Ring2][Ring1][Ring1][C@H1][Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL611662 | [C][C][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CHEMBL612126 | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C].[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C].[Br-1].[Br-1] |
CHEMBL612129 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][S][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][N] |
CHEMBL534280 | [O][=C][C][Branch1][C][Br][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Ring1][=N] |
CHEMBL607833 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][Branch2][Ring2][=N][C][=C][C@@][Branch1][C][O][C][C][/C][=C][\C][C][C][C][N][C][C][C@@H1][Ring1][S][C@][Branch2][Ring1][C][C][C@@H1][/C][=C][\C][C][C][C][N][Ring1][Branch2][C@@H1][Ring2][Ring1][=Branch2][Ring1][O][C][Ring1][S... |
CHEMBL607837 | [C][C][Branch1][C][C][C][C@@H1][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][... |
CHEMBL610179 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring1][S][C][Ring2][Ring1][Ring2][=O] |
CHEMBL1084042 | [C][N][C][C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][S][=Branch1][C][=O][=O] |
CHEMBL1084465 | [C][S][C][C][C@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C... |
CHEMBL584773 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL584783 | [C][C][C][C][N][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch1][=C][O][C@H1][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][Branc... |
CHEMBL584784 | [C][C][C][C][C][N][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch1][=C][O][C@H1][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][Br... |
CHEMBL584792 | [C][=C][C][N][C][C][C@][C][=C][C][=C][C][Branch2][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][O][N][Branch1][Branch2][C][C][C][... |
CHEMBL600456 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][O][C][N][=C][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Ring2][Ring1][Ring2][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=C] |
CHEMBL600867 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][S][N][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=N][Ring2][Ring1][N] |
CHEMBL1237410 | [O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[C][=C][O][C][Branch2][Ring1][S][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][O][Ring1][Branch1... |
CHEMBL557752 | [C][C][C][=C][C@@H1][C][N][Branch2][Branch2][Ring2][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][=Branch1][Ring1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][... |
CHEMBL557754 | [C][C][=Branch1][C][=O][O][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring2][#Branch2][C][C][=C][N][Branch2][Ring1][=C][C][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][=... |
CHEMBL568755 | [C][N][C][=C][N][=C][Ring1][Branch1][C][C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] |
CHEMBL569031 | [N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=Branch1] |
CHEMBL1082274 | [C][C][Branch1][C][C][C@H1][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch... |
CHEMBL1076587 | [O][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] |
CHEMBL1089576 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Br... |
CHEMBL1083884 | [C][C][=Branch1][C][=O][O].[O][C][C][O][C][C][C][C][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2] |
CHEMBL1079027 | [C][C][=Branch1][C][=O][O][C@@H1][C][=Branch1][C][=O][O][C][C@][C][C][C@@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@H1][Ring1][Branch2][O][C@@H1][C][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][\C][=C][\C][=Branch1][C][=O][O][C][C][C@H1][Ring2][Ring1][=C][C][C@@][Ring2][Ring1][O][Branch1][C][C][C@][Ri... |
CHEMBL1098640 | [C][S][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][P][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C... |
CHEMBL1097890 | [C][C][=C][N][Branch3][Ring1][=C][S][C][C][=Branch1][C][=O][N][Branch3][Ring1][O][=N][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][=Branch2][#C][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][#Branch1][#Branch2][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Branch1][=Branch2][C][C][N][C][=Branch1][C][=O]... |
CHEMBL160341 | [C][O][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Ring1][=Branch2][C] |
CHEMBL533122 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O][C][=C][Ring1][P][C][C][Ring2][Ring1][=N] |
CHEMBL1077381 | [C][C][N][=C][N][C][=Ring1][Branch1][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL601490 | [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] |
CHEMBL600052 | [O][=C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1][N][=N][Ring2][Ring1][=Branch2] |
CHEMBL564590 | [C][=C][C@][Branch1][C][C][Branch3][Ring1][Ring2][=Branch1][C][C][/C][=C][Branch1][Ring1][\C][O][C][=Branch1][C][=O][O][C@H1][C@H1][Branch3][Ring1][C][Branch1][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][#C][=N][O][C@]... |
CHEMBL1083255 | [C][C][N][Branch1][Ring1][C][C][C][C].[O][=C][C][=C][N][Branch2][=Branch1][Ring2][C@@H1][O][C@H1][Branch2][Branch1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1... |
CHEMBL562617 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][C][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][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C... |
CHEMBL571967 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][S][O][N][=Ring2][Ring1][Branch1] |
CHEMBL571523 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][N][Branch1][#Branch2][C@H1][C][C@H1][Branch1][C][O][C][Ring1][Branch1][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL571980 | [C][C][C][Branch1][Ring1][C][C][N][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL570634 | [N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][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][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][... |
CHEMBL583531 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][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][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C][=Bra... |
CHEMBL583567 | [C][O][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@][Branch1][C][O][Branch2][Ring2][=Branch2][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C... |
CHEMBL1089585 | [C][C][C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1... |
CHEMBL1099301 | [C][C][C@H1][Branch1][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][P][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Br... |
CHEMBL1076976 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][C][#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][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch... |
CHEMBL1076081 | [C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C]... |
CHEMBL1076074 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][... |
CHEMBL1209155 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][/N][=C][Branch1][=Branch2][\C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL1096579 | [C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][O][C][=Branch1][C][=O][O][C@H1][Ring1]... |
CHEMBL1096583 | [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][#Branch1][O][N][Branch1][C][C][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=... |
CHEMBL564926 | [C][C][Branch1][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][NH1][C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][O][C][=Branch1][C][=N][N][C][Branch1][C][C][C][=C][C][=C][Ring1][N][NH1][Ring1][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branc... |
CHEMBL156703 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=N][Ring1][Branch2] |
CHEMBL572573 | [N][C][=N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][#Branch1][C][Ring2][Ring1][C][=Ring1][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
CHEMBL4116087 | [C][C][=Branch1][C][=O][C][=C][N+1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=C][C][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][O][C][O][Ring1][=Branch2] |
CHEMBL572743 | [C][N][Branch1][C][C][C][C][C][=N][C][=C][Branch1][#C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring1][#C] |
CHEMBL577964 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][/N][=C][Branch2][Ring1][C][\N][C][=C][C][=C][O][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C@H1][C][C][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][#C][=O][N][=C][Ring2][... |
CHEMBL576290 | [C][N][Branch2][Ring1][Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch2][N][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch1][O][N]... |
CHEMBL583568 | [C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@@][Branch1][C][O][Branch2][Ring2][=Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=... |
CHEMBL581297 | [Cl].[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N] |
CHEMBL580443 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][N][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S][=C][Ring2][Ring1][=Branch1] |
CHEMBL157236 | [C][N][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL589268 | [C][C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\N][C][=C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][O] |
CHEMBL589278 | [C][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][C][Branch2][=C][#C][C][=Branch1][C][=O][N][C][C][=C][Branch2][=N][N][C][=Branch1][C][=O][N][C][C][=C][Branch2][N][=Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][C][Branch2][#Branch2][#C][C][=Branch1][C][=O][N][C][C][=C][Branch2]... |
CHEMBL589753 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL589762 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C@@H1][Ring1][S][O][C@H1][C][C@H1][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C@H1][B... |
CHEMBL1089574 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=B... |
CHEMBL162392 | [C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][O][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][S][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][NH1][C][=Ring2][Ring1][S][N][Branch1][Rin... |
CHEMBL606119 | [O][=C][C][C][=C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][N][=C][Ring1][N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1] |
CHEMBL544338 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][O][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1].[Cl].[Cl] |
CHEMBL454492 | [C][N][C][=N][C][Branch1][Ring1][C][#N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][O][N] |
CHEMBL1079305 | [C][O][C][Branch1][C][C][C@H1][C][C][C@H1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Ring1][=Branch2][C][C@@H1][Branch1][=N][C][Ring1][#C][C][Ring1][Branch1][O][C][Branch1][C][C][=O][N][Ring2][Ring1][Ring1][C@@H1][Ring2][Ring1][#Branch1][O] |
CHEMBL1077929 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][N][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][N][=C][S][Ring1][Branch1][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=N][C][=C][S][Ring1][Branch1] |
CHEMBL1094070 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Br... |
CHEMBL611871 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=C][N][=C][N][Branch1][#C][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch1][O][C][Ring1][=N][=N][Ring2][Ring1][#Branch2] |
CHEMBL1079618 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][N][=C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][N][S][C][=Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring2][C] |
CHEMBL609009 | [C][O][C@@H1][C@H1][Branch2][=N][O][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Bran... |
CHEMBL609010 | [C][O][C@@H1][C@H1][Branch2][N][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][C]... |
CHEMBL576512 | [C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL584356 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][C][=C][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL584197 | [C][O][C][=C][C][Branch2][Ring1][N][C][C@H1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL583726 | [C][C][=Branch1][C][=O][O][C][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C@@H1][C][C@@H1][Ring1][Ring1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=... |
CHEMBL583727 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][... |
CHEMBL590981 | [O][=C][NH1][C][=Branch1][C][=O][N][Branch2][Ring1][P][C@@H1][O][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][S][O][C][=C][Ring2][Ring1][Branch2][F] |
CHEMBL590067 | [C][O][C][=C][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][C][=Ring2][Ring1][C][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL590478 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][C][Branch2][Ring2][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Bran... |
CHEMBL1095342 | [C][C@H1][C@H1][Branch1][Ring1][C][O][O][C@H1][Branch2][=Branch2][=C][O][C@H1][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][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@@H1][O][C@H1][... |
CHEMBL1077343 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][O][C][C][C][N][Branch2][Ring2][#C][C][=C][C][Branch1][C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][#C][N][C][C][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][Cl][C][=C][NH1][C][Ring1][S][=O][NH1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][O][C]... |
CHEMBL1077410 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][S][C][Branch1][C][N][=O] |
CHEMBL1076825 | [C][C@H1][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][#Branch2][Ring2][O][C@H1][C@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][=Branch2][Ring1][O][C][C@H1][O][C@@H1][Branch2][#Branch1][=C][O][C@H1][C@H1][Branch1][C][O][C][O][C@@H1][Branch2][=Branch1][=N][O... |
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