chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL12481
|
[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL12570
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][Ring1][=C]
|
CHEMBL12571
|
[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][\O][S][=Branch1][C][=O][=Branch1][C][=O][O]
|
CHEMBL12595
|
[C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch1]
|
CHEMBL12596
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch2]
|
CHEMBL12597
|
[C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][Ring1][#C][Ring1][O]
|
CHEMBL12598
|
[C][C][C][C][C][N][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring1][=Branch2]
|
CHEMBL3309313
|
[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][#Branch1][O][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][C][C][Ring2][Ring2][P][=C][Ring2][Branch1][#C]
|
CHEMBL12523
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
CHEMBL12617
|
[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][=C][Ring1][=N]
|
CHEMBL12620
|
[C][C][=N][C][=C][Branch1][Ring2][C][C][N][NH1][Ring1][Branch2]
|
CHEMBL12621
|
[C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch2][Ring2][Ring1][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][P][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][O][C][Ring2][Ring1][N]
|
CHEMBL96
|
[N][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL4543206
|
[C][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][#N][C][=C][C][=C][Ring1][N][N][Ring1][#C][C][=N][C][=C][Branch1][P][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][C][C][C][Ring1][S]
|
CHEMBL4543207
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=C][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4543208
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][=N][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL12622
|
[C][C][O][C][=Branch1][C][=O][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]
|
CHEMBL12644
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][Branch1][Ring2][C][C][Cl][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
CHEMBL12645
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][/C][Ring1][=Branch1][=N][\C][=N][/C][=Branch2][Ring2][=Branch1][=N][\C][N][C][Branch2][Ring1][Ring2][N][C][=N][/C][=Branch1][Ring2][=N][-\Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
|
CHEMBL12647
|
[C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=C][C][C@@H1][Ring2][Ring1][=N][Ring2][Ring1][Ring2]
|
CHEMBL12661
|
[C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][#Branch2]
|
CHEMBL12662
|
[F][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
CHEMBL12663
|
[C][C][C][C][C][=N][C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][=N][N][Ring2][Ring1][#Branch1][C][C][C][C]
|
CHEMBL12387
|
[C][/C][=C][Branch2][Ring1][Ring2][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12388
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL12389
|
[C][C@@H1][C][C][C][N][Branch2][Ring1][S][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL12752
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL12753
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Branch1][=C][C][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12754
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL12755
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL12624
|
[C][C][=C][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL12715
|
[N][C][C][C][=C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=Branch2]
|
CHEMBL12716
|
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][N][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]
|
CHEMBL12717
|
[C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][/C][=C][\C][C@H1][Ring1][P][Ring1][=N]
|
CHEMBL12737
|
[C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C][N][=Ring2][Ring1][Branch2]
|
CHEMBL12738
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O]
|
CHEMBL4543231
|
[O][=C][Branch1][#C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1]
|
CHEMBL4543232
|
[O][=C][Branch2][Ring1][Branch2][C][=C][N][=C][C][Branch1][=C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][Ring1][Branch1][=C][Ring1][=N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL4543233
|
[C][O][C][=Branch1][C][=O][C][C][C][N][C][C][C][=C][Branch2][Ring1][N][S][C][N][=C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][NH1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C][C][Ring2][Ring1][Branch1]
|
CHEMBL4543234
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL12741
|
[C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C][C@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][Ring1][#C][Ring1][O]
|
CHEMBL12122
|
[C][C][/C][=Branch2][Ring1][P][=C][Branch2][Ring1][Branch1][/C][C][=C][C][=C][Branch1][#Branch2][O][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12211
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12212
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N]
|
CHEMBL12213
|
[C][N][C][=C][Branch1][O][NH1][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][N][C][C][Ring1][N][C][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL12214
|
[C][N][Branch1][C][C][C][=Branch1][C][=S][N][Branch1][C][C][C]
|
CHEMBL12417
|
[C][C][C][C][C][N][=C][Branch2][Ring1][P][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring1][=N]
|
CHEMBL12418
|
[C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][Branch2][C][Ring1][#C]
|
CHEMBL12419
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][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][C][=C][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]
|
CHEMBL12420
|
[C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL3309315
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL12718
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL12719
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C@@H1][Branch1][C][C][N][C][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL12440
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL12441
|
[C][N][C][Branch1][C][O][=N][N][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]
|
CHEMBL1163439
|
[C][C][C@H1][C][C][C][C@@][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][C][=C][C@H1][Branch1][C][C][C@@H1][Ring1][P][Ring1][=Branch1]
|
CHEMBL12442
|
[C][C][O][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL12463
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Ring1][=C]
|
CHEMBL12464
|
[O][=C][Branch1][C][O][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12465
|
[N][C][C][C][=C][N][Branch2][Ring2][C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=N][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][Branch2]
|
CHEMBL12215
|
[C][O][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][=C][Ring2][Ring1][#C]
|
CHEMBL12301
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#C][N][C@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL12302
|
[C][C][C][=C][Branch2][Ring2][C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][O][N][=Ring2][Ring1][=Branch1]
|
CHEMBL12421
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][O][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL4543242
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][N][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C]
|
CHEMBL12500
|
[C][C@][C][C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][#Branch2][C][C][C][C][C@@H1][C][C@@][Ring1][Branch1][Ring1][P][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][O]
|
CHEMBL12501
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL12502
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][S][Ring1][#Branch2]
|
CHEMBL12503
|
[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][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][S][Ring2][Ring1][=N]
|
CHEMBL12443
|
[C][N][C][C][N][Branch2][Ring1][=N][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][N][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL12444
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL12524
|
[O][=C][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL1163444
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL12526
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL1163440
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][=C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][Branch2][Ring2][Ring1][S]
|
CHEMBL12547
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][S][C][C][C][C][C][C][C][C][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][N]
|
CHEMBL12548
|
[C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=N]
|
CHEMBL12549
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][Ring2][Ring1][C]
|
CHEMBL12304
|
[C][=C][N][=C][C][Branch2][Ring2][=Branch2][C][C][C][N][C][C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#C]
|
CHEMBL12679
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C@H1][Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL12680
|
[C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring2][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][Ring2][Ring1][O]
|
CHEMBL12681
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
|
CHEMBL12504
|
[C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1].[Cl-1]
|
CHEMBL12505
|
[C][S][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL12599
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][Ring1][=N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C]
|
CHEMBL12602
|
[C][O][C][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][Ring2][Ring1][Branch2][O][C][Branch1][C][C][=O]
|
CHEMBL12603
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL12527
|
[C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL12529
|
[C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][C][Ring1][S]
|
CHEMBL12625
|
[C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12626
|
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][N][Ring1][#Branch1]
|
CHEMBL12627
|
[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][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL12550
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12551
|
[O][=C][Branch2][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12648
|
[C][N][C][C][=C][Branch2][Ring2][Ring1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL12649
|
[C][N][/C][=Branch1][#Branch1][=C][/N+1][=Branch1][C][=O][O-1][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2]
|
CHEMBL12682
|
[O][=C][O][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C]
|
CHEMBL12684
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][Cl][C][C][Ring1][Branch2]
|
CHEMBL12685
|
[C][C][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C][C@@][Branch1][C][O][C@@H1][C][C][=C][C][C@@H1][Branch2][=Branch1][P][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][Branch1][N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@H1][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][Ring2][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][Ring2][#Branch2][O][C][C][C@][Ring2][Branch1][C][Branch1][C][C][C@H1][Ring2][Branch1][#Branch1][C][C][C@][Ring2][Branch1][N][Branch1][C][C][C@H1][Ring2][Branch1][S][C@@H1][Ring2][=Branch1][Branch1][C]
|
CHEMBL12401
|
[C][C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O]
|
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