chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4283107 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] |
CHEMBL4283186 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S] |
CHEMBL4283187 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring2][Ring1][Ring1] |
CHEMBL4283188 | [O][=C][Branch1][C][O][C][N][Branch2][=Branch1][Ring2][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][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][Branch2][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][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][Branch2][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4283189 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4283190 | [N][#C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][=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][=C][Ring2][Ring2][Ring1] |
CHEMBL4283283 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][F] |
CHEMBL4283284 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] |
CHEMBL4283285 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4283286 | [N][#C][C][=N][C][=C][C][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Branch1][C][N][O][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] |
CHEMBL4277801 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][N][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277802 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4277803 | [C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][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] |
CHEMBL4277804 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][#Branch2][Ring1][O][C] |
CHEMBL4277887 | [N][C][=N][C][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][N][=N][NH1][N][=Ring1][Branch1] |
CHEMBL4277888 | [C][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Branch1][Ring2][N][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277889 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][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] |
CHEMBL4277890 | [O][=C][Branch2][Ring1][S][N][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] |
CHEMBL4277891 | [C][C][N][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4277989 | [O][=C][Branch2][Ring1][#Branch1][N][C][C@@H1][Branch1][C][O][C][=C][C@@H1][Ring1][#Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring1][P] |
CHEMBL4277990 | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL4277991 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][C][N][C][C][Branch2][Ring2][=Branch1][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C] |
CHEMBL4277992 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][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][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277993 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][#Branch1][S][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=N][Ring1][N][N][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278081 | [O][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=N][C][=N][C][NH1][N][=C][Branch1][C][Cl][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][Ring1][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4278082 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C][C][=Branch1][C][=C][C@@H1][Ring2][Ring1][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4278083 | [C][C@][C][C@@][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring2][C][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][#Branch1][C][Ring2][Ring2][=Branch1][O][Ring2][Ring2][=Branch2] |
CHEMBL4278084 | [O][=C][C][=C][Branch2][#Branch1][O][C][=C][C][=C][Branch2][=Branch1][#C][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][=C][C][=C][C][=C][Branch2][Branch1][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring1][N][=N][Ring2][Ring2][Branch2][C][=C][Ring2][Branch1][Ring2][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Branch1][#C][Ring1][#Branch1] |
CHEMBL4278085 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][Branch2][C][#C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1] |
CHEMBL4278086 | [C][C][N][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][=C][N] |
CHEMBL4278172 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CHEMBL4278173 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][=C][Branch1][C][O-1][/C][=Branch2][Ring1][=C][=C][\C][S][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N+1][=Ring1][#Branch2][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C] |
CHEMBL4278174 | [O][=C][Branch2][Ring2][P][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring1][#C][Se][Se][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4278175 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][O][Ring1][O][C] |
CHEMBL4278261 | [C][C][Branch1][C][C][O][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][N][=C][Ring1][#C][N][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4278262 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=N][Ring2][Ring1][Ring1] |
CHEMBL4278263 | [C][O][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N+1][Branch1][C][O-1][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N+1][Ring1][=N][O-1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][P] |
CHEMBL4278264 | [C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4278265 | [C][O][C][=C][C][Branch2][Branch1][O][C@@H1][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][S][Ring1][=N][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][O][O][C][O][Ring2][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch1][O] |
CHEMBL4278266 | [Cl].[N][C][=N][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4278352 | [C][=C][C][C][C@@H1][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][#Branch2][/C][=C][/C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4278353 | [O][=C][Branch2][Ring1][N][N][C][=C][N][=C][C][Branch1][P][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][S][Ring1][#Branch2][=C][Ring1][S][C][C][C][Ring1][Ring1] |
CHEMBL4278354 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C@@H1][Branch1][C][C][N][C@H1][Ring1][#Branch1][C][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1] |
CHEMBL4278355 | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring2][#Branch1] |
CHEMBL4278356 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4278357 | [C][S][=Branch1][C][=O][=Branch1][C][=O][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][C][=C][C][=C][C][=C][Ring1][=Branch1][I] |
CHEMBL4278358 | [C][O][C][=C][C][=C][C][Branch2][#Branch1][Branch2][C][O][C][=C][Branch2][=Branch1][Ring1][C][=C][C][=C][Branch2][Branch1][#Branch1][O][C][C][O][C][C][N][C][=C][Branch2][Ring2][=Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][C][=O][=C][Ring2][Branch1][O] |
CHEMBL4278359 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][O][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4278438 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4278439 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][=O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278440 | [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][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4278441 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4278520 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4278521 | [C][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][Branch1][C][C][=C][Ring1][P][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4278522 | [C][C][C][N+1][Branch1][Ring2][C][C][C][Branch1][Ring2][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C][C][C@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C@@H1][C][=Branch2][Ring2][N][=C][C@@H1][C@H1][Ring1][Branch1][C][=C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][O][O][C][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][Branch2][C].[Br-1] |
CHEMBL4278523 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O].[O][=C][Branch2][Ring2][#C][C@@H1][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][N][=C][Branch2][Ring1][C][C][Branch1][O][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][C][Ring1][=Branch2][NH1][C][Ring1][=C][=N][Ring2][Ring1][C][C][Ring2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4278524 | [C][O][C][=C][C][=N][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4278525 | [O][=C][C][=C][Branch2][Ring1][=N][O][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][Ring1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4278607 | [C][C][C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Branch1][=C][S][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4278608 | [C][C][C][C][C][C][C][N][C][C][=C][N][Branch2][P][N][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][C][C][N][=N][Ring1][=C][O][C@H1][Branch2][=C][P][O][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][C][C][N][=N][Ring1][=C][O][C@H1][Branch2][N][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][C][C][N][=N][Ring1][=C][O][C@H1][Branch2][#Branch2][Ring1][O][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][C][C][N][=N][Ring1][=C][O][C@H1][Branch2][#Branch1][N][O][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][C][C][N][=N][Ring1][=C][O][C@H1][Branch2][Branch1][Branch1][O][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][C][C][N][=N][Ring1][=C][O][C@H1][Branch1][#C][O][C@H1][Ring2][=Branch2][=N][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][O][Ring2][O][N][=N][Ring2][O][#C] |
CHEMBL4278609 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4278610 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][N][C][C][Ring2][Ring1][Ring2] |
CHEMBL4278611 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4278698 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O][=N][C][=C][Ring2][Ring1][C][Cl] |
CHEMBL4278699 | [O][=C][C][=C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4278700 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][=Branch2][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][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][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][O][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=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][#Branch1][C][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][C][C][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][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][Branch2][C][C][C][Branch1][C][N][=O][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
CHEMBL4278701 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4278702 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=S][S-1].[Na+1] |
CHEMBL4278785 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N] |
CHEMBL4278786 | [N][#C][/C][=Branch1][S][=C][/C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4278787 | [C][O][C][C][N][Branch2][=N][P][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278788 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4278789 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4278790 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][#Branch1][O][C][C][O][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Branch1][C][Ring2][Ring2][Branch2] |
CHEMBL4278864 | [C][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=C][Branch1][C][C][N][Branch1][#C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring1][S][=C][Ring2][Ring1][Ring2][O][C][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][O][Ring2][Ring1][N] |
CHEMBL4278865 | [C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] |
CHEMBL4278866 | [C][C][C][Branch1][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Ring2][=Branch1][Ring1][C] |
CHEMBL4278867 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=C][C][=C][Ring2][Ring1][S] |
CHEMBL4278868 | [C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][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][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch1] |
CHEMBL4278869 | [F][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][#C] |
CHEMBL4278951 | [O][=C][Branch2][Ring2][O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][N][O] |
CHEMBL4278952 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C@@H1][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=Branch1][C][=O][C@][Ring1][P][Branch1][C][O][C][O][C][=C][Ring2][Ring1][#Branch2][O] |
CHEMBL4278953 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279033 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279034 | [F][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][P][N][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4279035 | [N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][N][Branch3][Ring1][Ring1][Ring2][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][O][C@H1][Branch2][S][Branch1][O][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][O][C@H1][Branch2][=N][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][O][C@H1][Branch2][#Branch2][#C][O][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][O][C@H1][Branch2][Branch2][Ring2][O][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][O][C@H1][Branch2][Branch1][=Branch2][O][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][O][C@H1][Branch1][#C][O][C@H1][Ring2][=Branch2][=N][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][O][Ring2][O][N][=N][Ring2][O][#C] |
CHEMBL4279036 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
CHEMBL4279037 | [O][=C][C][Branch1][C][O][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring1][P][Ring1][N] |
CHEMBL4279038 | [C][C@@H1][C][C][C@H1][C][Branch2][=Branch1][P][C][N][C][C][N][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring2][#Branch1][C][C][Ring2][Ring2][=N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Branch1][S][C@@][Ring2][Branch1][=C][Ring1][Branch2][O][Ring1][#Branch1] |
CHEMBL4279039 | [O][=C][Branch2][Ring2][=C][/C][=C][/C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4279040 | [N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4279122 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring1][S] |
CHEMBL4279123 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4279124 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O] |
CHEMBL4279125 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][F] |
CHEMBL4279126 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C@H1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4279204 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4279205 | [N][#C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][Ring1][#C][C][Ring2][Ring1][C] |
CHEMBL4279206 | [C][O][C][=C][C][Branch2][Ring2][O][C][=N][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][N][O] |
CHEMBL4279207 | [N-1][=N+1][=N][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P] |
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