chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL9290
|
[C][#C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9369
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][O]
|
CHEMBL9370
|
[C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][=N][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][C][N][Ring1][O]
|
CHEMBL9392
|
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
|
CHEMBL9393
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][Ring1][C][O][=N][O][Ring1][#Branch1]
|
CHEMBL1163269
|
[O][=C][Branch1][C][O][C][C@][O][C@@H1][C][=C][C][C][O][C@@H1][Ring1][#Branch1][C@H1][Ring1][#Branch2][C][N][C@@H1][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL262146
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C@H1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring2][C][C][Ring2][Ring2][Branch2][=O][C][=C][Ring2][Branch1][C]
|
CHEMBL9129
|
[C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9130
|
[C][N][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Ring2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring2][=Ring1][=C][C][Ring2][Ring1][O]
|
CHEMBL9333
|
[C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][O][C][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][=C][N][Ring2][Ring2][C][C]
|
CHEMBL9419
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
CHEMBL9420
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
|
CHEMBL9421
|
[C][C][N][C][=O]
|
CHEMBL9422
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][=N]
|
CHEMBL9423
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][N][N][N][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL3309462
|
[O][=C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL3309463
|
[O][=C][C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL9350
|
[C][C][Branch1][C][C][C][C][=N][O][C][=C][Branch1][C][Cl][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][#Branch2]
|
CHEMBL9435
|
[C][C][C][O][C][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][N][Branch1][C][C][N][Ring2][Ring1][Ring2][C]
|
CHEMBL9436
|
[C][C][O][C][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][N][Branch1][C][C][N][Ring2][Ring1][Ring2][C]
|
CHEMBL9437
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#C][NH1][C][=Ring2][Ring2][Ring2][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][N][=O]
|
CHEMBL9438
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9440
|
[C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][N][=N][Ring1][#Branch2]
|
CHEMBL9441
|
[C][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N]
|
CHEMBL9371
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9372
|
[C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][S][Ring1][=Branch2]
|
CHEMBL9374
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL4553155
|
[O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2]
|
CHEMBL4553156
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4553157
|
[C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][Br][=C][Ring1][#C]
|
CHEMBL4553158
|
[C][N][C][=C][C][Branch2][Ring2][Branch1][N][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=N][C][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4553159
|
[C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C@H1][Branch1][Ring2][C][Ring1][S][O][Ring1][#C]
|
CHEMBL9458
|
[N][C][=C][C][=C][C][Branch1][#C][N][/C][Branch1][C][S][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL9459
|
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][=N]
|
CHEMBL9132
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9220
|
[O][=C][Branch1][=N][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL3309389
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][N][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][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][=N][Ring2][Ring1][P]
|
CHEMBL9150
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][Branch1][=N][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring2][Ring1][C]
|
CHEMBL61
|
[C][O][C][=C][C][Branch2][Ring2][C][C@@H1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C]
|
CHEMBL4553538
|
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][P]
|
CHEMBL3309464
|
[O][=C][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL2111084
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][N][C][Branch1][C][C][C]
|
CHEMBL9171
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL9172
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9173
|
[C][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL9174
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL9460
|
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9461
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][S][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][N][N][N][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring2][C]
|
CHEMBL9462
|
[C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][C][C][N][Ring1][=Branch2]
|
CHEMBL9196
|
[C][=C][C][C][/C][=C][/C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9222
|
[C][O][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL9223
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9225
|
[C][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL9312
|
[C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL9152
|
[C][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][N][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2]
|
CHEMBL9243
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
|
CHEMBL1163262
|
[N][#C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][N][=C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9246
|
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9175
|
[C][O][C][=C][C][=C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][Ring1][N][O][C]
|
CHEMBL9176
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][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@@H1][Branch1][N][C][C][N][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][=Branch2][C]
|
CHEMBL9177
|
[C][C][N][C][C][C@H1][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][=Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O]
|
CHEMBL9267
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL9269
|
[C][N][Branch1][C][C][/C][=C][\N+1][=Branch1][C][=O][O-1]
|
CHEMBL9271
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][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@@H1][Branch2][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][N][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][S][C]
|
CHEMBL3309545
|
[Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][S][Ring2][Ring1][Ring1]
|
CHEMBL9199
|
[C][C][O][C][=Branch1][C][=O][C][=N][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@H1][Ring1][=Branch2][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][=Branch2][C]
|
CHEMBL9200
|
[C][C][=C][C][=N][C][Branch2][Ring2][Branch2][N][C][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL9291
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][C][N][C][Branch1][S][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O][=C][Ring2][Ring1][N]
|
CHEMBL9313
|
[C][C][C][C][C][N][Branch1][=Branch1][C][C][C][C][C][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9314
|
[O][=C][C][=C][N][Branch2][Ring2][#Branch1][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Ring2][Ring1][C][Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch2]
|
CHEMBL3309391
|
[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C@H1][Branch1][C][C][O][=N][Ring1][O][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][S]
|
CHEMBL3309414
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9249
|
[O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Ring2][Ring1][Ring2][O]
|
CHEMBL1163265
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][O][N][C][=O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL9334
|
[C][C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9335
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch1][NH1][C][=Ring2][Ring1][N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][Ring2][=O]
|
CHEMBL4553596
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL4553597
|
[O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL4553598
|
[C][O][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
CHEMBL4553599
|
[C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4553600
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][N][Ring2][Ring1][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL4553601
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][/C][=N][/N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL4553602
|
[C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][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]
|
CHEMBL3309497
|
[C][C][C][=C][Branch2][Ring1][#Branch1][C][C][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring2][Ring1][Branch1]
|
CHEMBL3309498
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][O][C][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9273
|
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Ring1]
|
CHEMBL9351
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9352
|
[O][=C][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][Ring1]
|
CHEMBL9353
|
[C][O][C][=C][C][Branch2][Ring1][=Branch2][C@H1][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Ring1][=N][O][=C][C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL9354
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL3309546
|
[C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL1163264
|
[N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][NH1][C][Ring1][N][=S]
|
CHEMBL9293
|
[C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][S][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][N][N][N][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring2][C]
|
CHEMBL9375
|
[C][O][C][=C][C][Branch1][N][N][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][=C][C][=C][Ring1][=N][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#C][Ring1][#Branch1]
|
CHEMBL9395
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL9398
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][Ring1]
|
CHEMBL9400
|
[C][C][C][C][C][C][Branch2][Ring2][Ring2][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2][C][C][C][Ring2][Ring1][=N][=O]
|
CHEMBL9336
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
CHEMBL9480
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9481
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.