chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4560034 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][N][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=Branch2][Ring1... |
CHEMBL4560035 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][O][C][N][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][S].[O][=C][Branch1][C][O][C][Br... |
CHEMBL4560036 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL12335 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][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][=C][Ring2][Ring1][Ring2][S+1][Branch1][C][C][O-1] |
CHEMBL12336 | [C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2].[Cl-1] |
CHEMBL12337 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring1].[Br-1] |
CHEMBL12338 | [C][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O] |
CHEMBL12339 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][Ring2][Ring1][N] |
CHEMBL4560044 | [C][C][=Branch1][Branch2][=C][Branch1][Ring1][C][#N][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4560045 | [O][=C][Branch2][#Branch1][#Branch1][N][C][=N][C][=C][C][Branch2][Branch1][Branch2][C][N][C][C][N][Branch2][Ring2][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring1][=C][=O][C][C][Ring2]... |
CHEMBL4560046 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4560047 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=N] |
CHEMBL4560048 | [C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2] |
CHEMBL4560049 | [C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] |
CHEMBL12065 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][Branch1][C][N][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12091 | [N][C][=N][C][=Branch1][C][=O][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Cl][C][Ring1][Branch2][O][C][=C][Ring1][S][F] |
CHEMBL12092 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL12093 | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring2][N] |
CHEMBL12094 | [C][C][=C][Branch2][Ring2][=Branch1][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=N][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring2][Ring1][P][Ring1][Branch2] |
CHEMBL12095 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][O][=C][\C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL12096 | [C][/C][=C][Branch1][O][\N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12020 | [C][C][C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL12021 | [C][C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12112 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL12113 | [C][=C][S][C][Branch1][=N][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=C][Ring1][=N] |
CHEMBL12044 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1] |
CHEMBL12045 | [C][/C][=C][Branch1][#Branch2][\N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12134 | [C][C][C][C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][Ring1][=C] |
CHEMBL12135 | [C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][Ring1][=Branch2].[Cl-1] |
CHEMBL12136 | [C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N] |
CHEMBL12067 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][C][C][C][Ring2][Ring1][Branch2].[I-1] |
CHEMBL12070 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@][Branch2][#Branch1][#Branch1][C][=Branch1][C][=O][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P]... |
CHEMBL12072 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch2] |
CHEMBL12073 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2] |
CHEMBL12154 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O] |
CHEMBL12179 | [C][C][C][C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL12181 | [C][=C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][Ring1][=C][\C][C][=Branch1][C][=O][O] |
CHEMBL1163421 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch2][C][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][P][C][... |
CHEMBL12183 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][S][Ring2][Ring1][Branch1].[Cl-1] |
CHEMBL12184 | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12025 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12026 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2] |
CHEMBL12027 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12117 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL12118 | [C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][#C] |
CHEMBL12119 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][Ring2][Ring1][Branch1].[I-1] |
CHEMBL12121 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2] |
CHEMBL1163415 | [O][=C][C][Branch1][Ring1][C][O][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][=C] |
CHEMBL12137 | [C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C].[I-1] |
CHEMBL12138 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=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][O][Ring2][Ring1][O] |
CHEMBL12139 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#C] |
CHEMBL12228 | [C][C][=C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C][N] |
CHEMBL12229 | [C][C][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL12155 | [C][C][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12157 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][S][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12158 | [C][S][C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12159 | [C][/C][=C][Branch2][Ring1][Ring2][\N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12273 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL12274 | [C][C][Branch1][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL12275 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12209 | [C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12210 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][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][=C][Ring2][Ring1][Ring2][C][Branch1][C][C][C] |
CHEMBL12295 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][=C] |
CHEMBL12296 | [O][=C][Branch2][Ring1][C][N][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][Ring2] |
CHEMBL12297 | [N][C][=N][C][Branch1][C][N][=C][N][=N][N][Branch1][=N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][O][C][Ring1][=N][=N][Ring2][Ring1][C] |
CHEMBL12230 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12231 | [N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][Cl] |
CHEMBL12232 | [C][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O] |
CHEMBL12378 | [C][C][=N][O][C][Branch1][N][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][N] |
CHEMBL12379 | [C][O][C][=C][C][=C][Branch2][=Branch1][#Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][O][C][O][C][=C][C... |
CHEMBL12380 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][=C] |
CHEMBL12382 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][C][C][Ring2][Ring1][#Branch1].[I-1] |
CHEMBL12384 | [C][N][Branch1][Ring2][C][C][Br][C][C][Br] |
CHEMBL12247 | [C][C][C][C][N][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL505 | [C][N][Branch1][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL1163433 | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O]... |
CHEMBL12250 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][C][C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] |
CHEMBL12276 | [C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=N][Ring1][=Branch2].[Cl-1] |
CHEMBL12363 | [C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][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][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL12364 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1] |
CHEMBL12365 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C] |
CHEMBL12366 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][C][O][Ring1][Branch2] |
CHEMBL12299 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL12022 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][#C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL3833385 | [C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][Branch2][#Branch1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C@@H1][Branch1][#C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][N][C][Ring1][#C][... |
CHEMBL3833388 | [C][C][C][N+1][C@H1][C][C@@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C@H1][Ring1][#Branch2][C@@H1][Ring1][=C][C][C@@H1][Branch1][O][C@H1][Branch1][Ring1][C][C][C@H1][Ring2][Ring1][Ring2][O][C@H1][Ring2][Ring1][Branch1][C@H1][Ring2][Ring1][Ring2][O].[O][=C][Branch1][C][O-1][C][Branch1][C][O][C][Branch1][... |
CHEMBL12024 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] |
CHEMBL12385 | [O][=S][=Branch1][C][=O][Branch1][C][O-1][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][I].[Na+1] |
CHEMBL12386 | [C][O][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][=N][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL12046 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][N][C][Ring1][Branch2] |
CHEMBL12048 | [C][C][=C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1].[Cl-1] |
CHEMBL12049 | [C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL12050 | [C][C][=Branch1][C][=O][S][C][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][#Branch2][=O] |
CHEMBL12340 | [C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL12341 | [C][C][C][C][C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL1163432 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][/C][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL12342 | [C][C][=C][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][#Branch2][S][Ring1][=N] |
CHEMBL12343 | [C][C@@H1][O][C@H1][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][Branch1][C][F][F] |
CHEMBL515 | [O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N] |
CHEMBL12344 | [C][N][Branch1][C][C][C][C][C][S][C][=Branch1][C][=N][N] |
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