chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4244529 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][\C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][O][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] |
CHEMBL4244798 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4244799 | [C][O][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][O] |
CHEMBL4244802 | [O][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][S][Ring1][Branch1] |
CHEMBL4244803 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4245109 | [C][N][C][=C][C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][=N][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL4245114 | [N][C][C][C][C][C@H1][Branch2][Branch1][P][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][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][C][C][N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=O] |
CHEMBL4245115 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Ring1][=Branch2][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
CHEMBL4245119 | [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][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][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] |
CHEMBL4245122 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][=N][Ring1][=C][O][N][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4245127 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245130 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][Ring1][C][O][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][O][=C][C][=C][Ring2][Ring1][C][F] |
CHEMBL4245132 | [C][C@@H1][O][C@@H1][Branch2][=Branch2][=N][O][C@H1][C@H1][Branch2][#Branch1][Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][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][=N][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=N][Ring1][=C][C][C][C@][Ring2][Ring1][=C][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][=N][Branch1][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][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][Ring2][=Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][N][O] |
CHEMBL4245411 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4245414 | [O][=C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring1][P][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4245415 | [C][C][=C][O][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL4245418 | [C][C][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][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch1] |
CHEMBL4245419 | [C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][=C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][=C][Ring2][Ring2][Branch2][Ring2][Ring2][S] |
CHEMBL4245698 | [C][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][O][C][Branch1][C][N][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL4245700 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][O][C@@][Ring2][Ring2][=Branch2][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4245703 | [O][=C][Branch1][C][O][C][=C][C][Branch1][P][O][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][=C][Ring2][Ring1][Ring2][O] |
CHEMBL4245705 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][Branch1][/C][=C][/C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O] |
CHEMBL4245711 | [C][C][N][C][=N][C][=C][C][Branch2][Ring1][=C][C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4245984 | [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][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4245985 | [C][C][=C][C][=C][Branch2][Ring2][P][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][C][=C][Ring2][Ring1][P] |
CHEMBL4245987 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C@][Ring1][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][#C][C@][Ring1][O][C][C][C@@][Ring1][#C][Branch1][Ring1][O][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][#Branch1] |
CHEMBL4245989 | [C][C][=C][C][=C][N][=C][C][Branch1][C][O][=C][C][=C][Branch1][C][Br][C][Ring1][Branch2][=N][C][Ring1][N][=C][Ring1][S] |
CHEMBL4245991 | [O][=P][Branch1][=Branch1][C][C][N][=C][=S][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245997 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4246266 | [N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4246268 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@][Branch1][C][C][C][O][C@][Branch1][#Branch1][C][C@@H1][Ring1][O][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C][Branch1][Ring1][C][O][=C][O][Ring1][O] |
CHEMBL4246273 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][Branch1][#C][/C][=N][/N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4246274 | [C][C][=C][C][=C][Branch2][#Branch2][Branch1][N][C][=C][Branch2][=Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C][C@H1][Branch2][Ring1][Branch1][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][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][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][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring2][Branch2][C][C][C@@][Ring2][Ring2][N][Branch1][C][C][C@][Ring2][Ring2][P][Branch1][C][C][C][C][Ring2][Branch1][N][N][=N][Ring2][=Branch1][Branch1][C][=C][Ring2][=Branch1][O] |
CHEMBL4246278 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4246281 | [C][=C][C@][Branch1][C][C][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][Branch1][C][C][C][C@][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Branch1][N][C][C][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][Ring1][N][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][Branch1][O] |
CHEMBL4246283 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][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] |
CHEMBL4246286 | [C][C][=C][N][=C][C][Branch2][Branch1][Branch2][C][=C][N][=C][Branch2][Ring1][S][N][C@@H1][C][C@H1][C][C][C@H1][Branch1][Ring2][N][Ring1][Branch1][C@H1][Ring1][Branch2][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][NH1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring2][Ring1][#C][=Ring1][Branch2][=C][Ring2][Ring2][Branch1] |
CHEMBL4246543 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4246544 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][=N][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4246546 | [O][=C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][S][C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch2] |
CHEMBL4246547 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Branch1][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4246549 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][N][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4246863 | [C][C][=C][C][=N][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][N][=C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][C][C] |
CHEMBL4246864 | [C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4246868 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4246869 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4246875 | [O][=C][Branch2][Ring2][#Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][C][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] |
CHEMBL4247131 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4247132 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4247139 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=N][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][#Branch1] |
CHEMBL4247141 | [C][=C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4247145 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][Si][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4247147 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][=C][/C][=O] |
CHEMBL4247149 | [C][C][C][=C][N][Branch2][Branch1][Ring1][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][=C][Ring2][Ring1][=N][N][=Ring2][Ring2][C] |
CHEMBL4247150 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][P][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C@@H1][Branch1][C][O][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C][O][Ring2][Ring1][P] |
CHEMBL4247444 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Ring2][Ring1][#Branch1][=Ring1][#C] |
CHEMBL4247445 | [C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][O][Ring1][P] |
CHEMBL4247454 | [C][O][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247456 | [C][C][Branch1][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4247794 | [C][C@@H1][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][Ring1][C][N][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4247798 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4247800 | [C][C][=C][C][Branch2][Ring1][Branch2][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][N] |
CHEMBL4247801 | [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=C][C][N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][S][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4248054 | [O][=C][Branch2][Branch1][P][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch2][Ring1][Branch2][C][C][=N][N][Branch1][#C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P][N][O] |
CHEMBL4248057 | [C][N][C][=C][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][=N][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL4248069 | [C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][O][Ring2][Ring1][=C] |
CHEMBL4248077 | [O][=C][Branch2][Ring1][P][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] |
CHEMBL4248080 | [C][O][C][C][=C][N][C][=C][Branch1][#C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][=Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4248320 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=C][Ring1][=N][C][=Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][C][=N][Ring2][Ring1][P] |
CHEMBL4248335 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][F] |
CHEMBL4248336 | [C][O][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C][C][C][N][=N+1][=N-1] |
CHEMBL4248337 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] |
CHEMBL4248576 | [C][N][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][=N] |
CHEMBL4248579 | [C][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=C][C][C][=N][NH1][C][Ring2][Ring1][S][=Ring1][Branch1] |
CHEMBL4248585 | [N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][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] |
CHEMBL4248586 | [C][C][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][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@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4248589 | [O][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][=C][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C] |
CHEMBL4248594 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N] |
CHEMBL4248866 | [C][C][O][/N][=C][Branch1][C][\C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][=C][Branch1][C][C][C][C@H1][Ring1][=C][Ring1][#Branch1] |
CHEMBL4248867 | [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][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4248870 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][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] |
CHEMBL4248872 | [C][C][O][C][=C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][N][N][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Ring1][N][=N][Ring1][S] |
CHEMBL4248874 | [C][C][C][C][N][Branch2][Ring2][=Branch2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][=Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4249151 | [C][C][O][C][=C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][N][N][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][=C][N][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][C][Ring1][=C][=N][Ring2][Ring1][C] |
CHEMBL4249153 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][Ring1][P] |
CHEMBL4249154 | [C][C][S][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][=N][C][=Ring1][#C][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4249157 | [O][=C][Branch2][Ring2][=Branch1][N][C][C][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][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] |
CHEMBL4249159 | [C][N][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4249393 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=C][C][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][S][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4249394 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch2] |
CHEMBL4249395 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][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][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4249405 | [Cl][C][=C][C][=C][C][Branch2][Ring1][=N][/C][=C][/C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4249704 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=C][Branch2][Ring1][Ring1][/C][=N][/N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4249714 | [O][=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][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F].[Br-1] |
CHEMBL4249719 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][S][S][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][O][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4249720 | [C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][Ring1][P][C][#N] |
CHEMBL4249721 | [C][C][Branch1][C][C][C][C@H1][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][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][=Branch1][C][=N][N][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4249973 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4249974 | [C][N][C][=C][Branch2][Ring2][=C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1] |
CHEMBL4249976 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
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