chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL11363
|
[C][=C][C][N][C][C][C@@H1][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][Ring1][=C]
|
CHEMBL11364
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL1163367
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][C][O][C][N][Branch2][Ring2][=N][C][C][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1]
|
CHEMBL1163369
|
[C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL11378
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S][=C][C][=C][Ring2][Ring2][=Branch2][NH1][Ring2][Ring2][N]
|
CHEMBL11380
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11381
|
[C][C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Ring1][N][Ring1][#C]
|
CHEMBL11382
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O]
|
CHEMBL11312
|
[C][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C]
|
CHEMBL11313
|
[C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][P][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][N][=C][Ring1][=Branch2][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL11314
|
[C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
CHEMBL11600
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring2][C]
|
CHEMBL11466
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Branch1][Ring1][Ring2][Ring2][S]
|
CHEMBL11406
|
[C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N]
|
CHEMBL11340
|
[C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL11341
|
[O][=C][O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL11342
|
[C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][Ring1][C][C][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL11427
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][NH1][Ring1][Branch2][C][=C][Ring1][=C][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL3310358
|
[O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][\N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P]
|
CHEMBL11450
|
[C][C][N][Branch1][Ring1][C][C][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL11452
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11453
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=N][Ring2][Ring2][#Branch2]
|
CHEMBL11454
|
[O][=C][C][=N][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1]
|
CHEMBL11455
|
[C][C][C][C][C][C@@H1][Branch1][C][O][/C][Branch1][C][F][=C][\C@H1][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL11383
|
[C][O][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL11385
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][NH1][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL11386
|
[C][C][C][N][C@@H1][Branch1][C][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@@H1][Ring1][N][Ring1][S]
|
CHEMBL11387
|
[C][C][C][N][C@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][C][C@H1][Ring1][#C][C]
|
CHEMBL11388
|
[C][C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][Ring1][#C]
|
CHEMBL11407
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL11408
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL11409
|
[C][C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=O][C][C][Ring2][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL11499
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][N][C][Branch1][C][Br][=N][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C][C][C][Ring2][Ring1][Ring1]
|
CHEMBL11428
|
[C][C][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL11429
|
[C][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][N][=Ring1][Branch2]
|
CHEMBL11430
|
[O][C][=C][Branch1][C][Cl][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Ring1][P][Cl]
|
CHEMBL11431
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring1][S][Cl][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL11522
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL3310498
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][Branch1][Branch2][C][C][C][N][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1]
|
CHEMBL11542
|
[C][N][Branch1][Ring2][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl]
|
CHEMBL11543
|
[C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11546
|
[C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11547
|
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][O][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][P][Ring1][N]
|
CHEMBL11548
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=C][Ring1][#Branch1]
|
CHEMBL11477
|
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL11478
|
[O][=C][C][=N][N][Branch2][Ring1][S][C][=C][C][Branch1][C][Br][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2]
|
CHEMBL1163374
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL11480
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][Ring1][=Branch1][C][C][N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C]
|
CHEMBL11481
|
[C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11574
|
[C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11500
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P]
|
CHEMBL11502
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C@H1][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring2][C][O]
|
CHEMBL11592
|
[C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=O][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL1163376
|
[N][C][=Branch1][C][=O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CHEMBL11523
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4560008
|
[N][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][=N]
|
CHEMBL4560009
|
[N][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL11524
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL11525
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Ring1][Branch2]
|
CHEMBL11526
|
[C][C][N][Branch1][C][C][C][C][N][Branch2][Ring2][O][C][C][O][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL11527
|
[C][C][Branch1][C][C][O][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][C][=C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1]
|
CHEMBL501
|
[C][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL11549
|
[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11637
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11638
|
[O][=C][C][=N][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1]
|
CHEMBL11639
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C]
|
CHEMBL1163380
|
[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][C][/C][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL11575
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=N][C][Ring1][#Branch2][=C][NH1][Ring1][=C]
|
CHEMBL4560020
|
[N][=C][Branch1][C][N][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O]
|
CHEMBL4560021
|
[C][C@H1][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][#Branch1][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=N][Ring2][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O]
|
CHEMBL4560022
|
[O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL4560023
|
[C][C][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL4560024
|
[C][C][=C][Branch1][O][C][=N][S][C][=Branch1][C][=O][O][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][O][Ring1][S]
|
CHEMBL4560025
|
[Cl].[Cl].[O][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1]
|
CHEMBL4560026
|
[C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C][N][C][Ring1][=Branch1][=C][Ring1][S][O].[Cl]
|
CHEMBL4560027
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4560028
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@H1][Branch2][=N][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][O][=N][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL11576
|
[C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11577
|
[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][C][Ring1][Branch2]
|
CHEMBL11578
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][#C][C][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][S][C][Branch1][C][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL11579
|
[C][N][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][C][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL11593
|
[C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl]
|
CHEMBL11594
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][O][O]
|
CHEMBL11596
|
[O][=C][Branch1][C][O][C][C][S][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL11316
|
[C][O][C][C][O][C][C][N][Branch2][Ring2][O][C][C][C][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
|
CHEMBL11317
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL11617
|
[C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][#C][C]
|
CHEMBL1163378
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][O]
|
CHEMBL11620
|
[C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11343
|
[O][=C][C][Branch1][Ring1][C][O][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL11640
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11365
|
[C][=C][C][N][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@@H1][Ring1][N][Ring1][#C]
|
CHEMBL11367
|
[C][C][/C][=Branch2][Ring2][Ring2][=C][Branch1][P][\C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2]
|
CHEMBL3309308
|
[O][=C][Branch2][Branch1][=C][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][C][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL11293
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C]
|
CHEMBL1163365
|
[C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][=C][C][Ring1][=N][=O]
|
CHEMBL11294
|
[C][=C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Ring1][N][Ring1][#C]
|
CHEMBL11295
|
[N][#C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL11296
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][N][Ring2][Ring2][=Branch2]
|
CHEMBL11297
|
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
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