clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
Cc1[nH]cnc1CC(=O)N1CCC(NC(=O)C2(c3ccc(O)cc3)CC2)C(C)C1
|
CP000038009541
| -47.96
|
O=C(Cc1c[nH]cn1)N1CCC(NC(=O)C2(c3ccccc3)CC2)CC1
|
COC(=O)C=Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCN3C)CC2C)o1
|
CP000766418695
| -41.71
|
O=C(NC1CCN(C(=O)c2ccco2)C1)[C@H]1CCCN1
|
CC1CC(NC(=O)[C@H]2CCCN2C)CN1C(=O)c1ccc(Br)o1
|
CP003498603924
| -38.24
|
O=C(NC1CCN(C(=O)c2ccco2)C1)[C@H]1CCCN1
|
CN(C(=O)[C@H]1CCCN1C)C1CCN(C(=O)c2ccc(C(N)=O)o2)C1
|
CP003265206083
| -33.46
|
O=C(NC1CCN(C(=O)c2ccco2)C1)[C@H]1CCCN1
|
C=CCC1(NC(=O)[C@H]2CCCN2C(C)=O)CCN(C(=O)c2ccc(C)o2)C1
|
CP001852554008
| -26
|
O=C(NC1CCN(C(=O)c2ccco2)C1)[C@H]1CCCN1
|
O=C(NC12CCCC1N(C(=O)Cc1ccccn1)CCC2)c1cnns1
|
CP002511352151
| -24.06
|
O=C(NC12CCCC1N(C(=O)Cc1ccccn1)CCC2)c1cnns1
|
Cc1ncc(CCC(=O)N2CCCC3(C=Cc4ccccc4O3)C2)s1
|
CP001225454963
| -26.63
|
O=C(CCc1cncs1)N1CCCC2(C=Cc3ccccc3O2)C1
|
Cc1nn(CC(=O)N2CCC(C3CCCCN3C(=O)c3cn[nH]c3)C2)c(C)c1C
|
CP000179151450
| -21.71
|
O=C(Cn1cccn1)N1CCC(C2CCCCN2C(=O)c2cn[nH]c2)C1
|
CN(C(=O)C(C)(C)c1nccs1)[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CC1
|
CP002502318808
| -18.99
|
O=C(C#CC1CC1)N[C@H]1CC[C@@H](NC(=O)Cc2nccs2)CC1
|
Cc1cccc2c(C(=O)N[C@@H]3CCCN(C(=O)C4CC(C(C)C)C4)C3)nccc12
|
CP000369214905
| -27.52
|
O=C(N[C@@H]1CCCN(C(=O)C2CCC2)C1)c1nccc2ccccc12
|
O=C(CN1CCC1)NCC1CCN1C(=O)CCC1CC(F)(F)C1
|
CP001412941297
| -35.59
|
O=C(CN1CCC1)NCC1CCN1C(=O)CCC1CCC1
|
C[C@H](NC(=O)C1(O)CCOCC1)C1CN(C(=O)c2cnc3ccsc3c2)C1
|
CP001817421488
| -21.45
|
O=C(NCC1CN(C(=O)c2cnc3ccsc3c2)C1)C1CCOCC1
|
Cc1n[nH]c(C)c1CC(C)C(=O)Nc1cnn(CC2CCCO2)c1
|
CP001323646438
| -24.74
|
O=C(CCc1cn[nH]c1)Nc1cnn(CC2CCCO2)c1
|
N#Cc1ncc(C(=O)NCC2CCN(C(=O)c3ccn4ccnc4c3)C2)s1
|
CP002316499606
| -36.7
|
O=C(NCC1CCN(C(=O)c2ccn3ccnc3c2)C1)c1cncs1
|
COc1cccc(CCC(=O)NCC2CCN2C(=O)C#CC2(C)CCCO2)c1
|
CP001254103450
| -25.44
|
O=C(CCc1ccccc1)NCC1CCN1C(=O)C#CC1CCCO1
|
O=C(CC1CSc2ccccc2O1)N1CCOc2ccc(F)cc2C1
|
CP001226881442
| -28.86
|
O=C(CC1CSc2ccccc2O1)N1CCOc2ccccc2C1
|
O=C(c1nccc2[nH]ccc12)N1CC2C(CNC(=O)[C@H]3C[C@@H](O)C3)C2C1
|
CP002677473838
| -28.43
|
O=C(NCC1C2CN(C(=O)c3nccc4[nH]ccc34)CC12)C1CCC1
|
COc1ccc2[nH]nc(C(=O)Nc3cc(C)cc4nc[nH]c34)c2c1
|
CP001352769128
| -28.68
|
O=C(Nc1cccc2nc[nH]c12)c1n[nH]c2ccccc12
|
Cc1cc(C(=O)N2CCC(C)(NC(=O)CC34CCCCC3C4(F)F)C2)cn1C
|
CP000699762389
| -21.23
|
O=C(CC12CCCCC1C2)NC1CCN(C(=O)c2cc[nH]c2)C1
|
CC(C)c1cc(NC(=O)c2ccc(=O)n3c2CCCC3)no1
|
CP001682237800
| -27.5
|
O=C(Nc1ccon1)c1ccc(=O)n2c1CCCC2
|
CC(C)Nc1ccc(C(=O)N2CCC(CNC(=O)C3(C)C=CCCC3)C2)cn1
|
CP001068046544
| -25.76
|
O=C(NCC1CCN(C(=O)c2cccnc2)C1)C1C=CCCC1
|
Cc1cncc(C(=O)N2CCC(C)(CNC(=O)C3(C)C=CCCC3)C2)c1
|
CP002721177397
| -25.56
|
O=C(NCC1CCN(C(=O)c2cccnc2)C1)C1C=CCCC1
|
Cc1c(Cl)cncc1C(=O)N1CCC(C(C)NC(=O)C2(C)C=CCCC2)C1
|
CP001806723057
| -23.16
|
O=C(NCC1CCN(C(=O)c2cccnc2)C1)C1C=CCCC1
|
CC(C)c1nsc(NC2CN(C(=O)C3(C4CC4)CCCO3)CC23CCC3)n1
|
CP001458835070
| -19.45
|
O=C(N1CC(Nc2ncns2)C2(CCC2)C1)C1(C2CC2)CCCO1
|
COC(C(=O)NC[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1)C1CCCOC1
|
CP000841575892
| -25.74
|
O=C(CC1CCCOC1)NC[C@H]1CCCN(C(=O)c2cnccn2)C1
|
CCc1cc(NCC2CCCC(C(F)(F)F)O2)nc(CC)n1
|
CP000312901332
| -40.21
|
c1cc(NCC2CCCCO2)ncn1
|
CCOCc1nc(C)cc(NCC2CCCC(C)(C)O2)n1
|
CP001311907934
| -27.9
|
c1cc(NCC2CCCCO2)ncn1
|
CNc1c(Cl)ncnc1NCC1(COC)CCCCO1
|
CP001498918409
| -20.96
|
c1cc(NCC2CCCCO2)ncn1
|
CC1(CNC(=O)c2ccc3c(c2)CNC(=O)N3)CCCN(C(=O)C2CC23CC3)C1
|
CP000090999072
| -25.09
|
O=C1NCc2cc(C(=O)NCC3CCCN(C(=O)C4CC45CC5)C3)ccc2N1
|
Cc1nnc(NC(C)C2CN(C(=O)Cn3nnnc3C)CCO2)s1
|
CP002920502096
| -23.16
|
O=C(Cn1cnnn1)N1CCOC(CNc2nncs2)C1
|
Cc1n[nH]c(CC(=O)N2CC(CNC(=O)C3CCC=CCC3)CC2C)n1
|
CP002679445724
| -30.69
|
O=C(NCC1CCN(C(=O)Cc2ncn[nH]2)C1)C1CCC=CCC1
|
CCC1CCC(C(=O)NCC2CCN(C(=O)CC3NC(=O)NC3=O)CC2C)O1
|
CP000642749539
| -21.61
|
O=C1NC(=O)C(CC(=O)N2CCC(CNC(=O)C3CCCO3)CC2)N1
|
CC(OCC1CC1)C(=O)NC[C@H]1CCCCN1C(=O)CCN1C(=O)CCC1=O
|
CP000917114391
| -17.77
|
O=C(COCC1CC1)NC[C@H]1CCCCN1C(=O)CCN1C(=O)CCC1=O
|
CC(C(=O)NCC1CC(C)N(C(=O)CN2C(=O)[C@@H](C)[C@@H](C)C2=O)C1)C1CCC1
|
CP001080035812
| -25.4
|
O=C(CC1CCC1)NCC1CCN(C(=O)CN2C(=O)CCC2=O)C1
|
CC(NC(=O)CC1(O)CCC1)C1CCN(C(=O)CN2C(=O)CCC2=O)C1
|
CP002727705876
| -19.38
|
O=C(CC1CCC1)NCC1CCN(C(=O)CN2C(=O)CCC2=O)C1
|
CC(CNC(=O)CCc1c[nH]c2ccccc12)CNC(=O)c1c[nH]c(C2CC2)n1
|
CP000230207172
| -37.14
|
O=C(CCc1c[nH]c2ccccc12)NCCCNC(=O)c1c[nH]c(C2CC2)n1
|
Cc1ocnc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
|
CP000876001583
| -30.75
|
O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cocn1
|
Cn1cncc1C(=O)N1CC2CCC1CN2C(=O)C1Cc2cscc2C1
|
CP002676005557
| -24.28
|
O=C(c1cnc[nH]1)N1CC2CCC1CN2C(=O)C1Cc2cscc2C1
|
Cc1n[nH]c(Cl)c1C(=O)NCC=C1CCN(C(=O)COC2CCOC2)CC1
|
CP001717089155
| -22.73
|
O=C(NCC=C1CCN(C(=O)COC2CCOC2)CC1)c1cn[nH]c1
|
O=C(c1cnsc1)N1CC2(CCCC(CNC(=O)C3(C4CCC4)CC3)O2)C1
|
CP002135865224
| -20.47
|
O=C(c1cnsc1)N1CC2(CCCC(CNC(=O)C3(C4CCC4)CC3)O2)C1
|
O=C(CC1CCCC(F)(F)C1)NCC1CCN1C(=O)c1ccc(C2CC2)o1
|
CP002431544708
| -28.84
|
O=C(CC1CCCCC1)NCC1CCN1C(=O)c1ccc(C2CC2)o1
|
Cc1ccc(SCC(=O)NC(C)(C)CNc2ncnc3c2CCO3)c(C)c1
|
CP001363800759
| -27.86
|
O=C(CSc1ccccc1)NCCNc1ncnc2c1CCO2
|
CCC(Sc1ccccc1)C(=O)NCC(C)N(C)c1ncnc2c1CCO2
|
CP001443368492
| -21.85
|
O=C(CSc1ccccc1)NCCNc1ncnc2c1CCO2
|
N#Cc1ccc(NC2CCCN(Cc3ncc(Br)cc3F)C2)nc1
|
CP001332464793
| -32.55
|
c1ccc(CN2CCCC(Nc3ccccn3)C2)nc1
|
CN(C)Cc1cccc(C(=O)N2CCCC2CNC(=O)C(F)C2CCOC2)c1
|
CP001067449130
| -45.31
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CSc1ccc(C(=O)N2CCC[C@@]2(C)CNC(=O)CC2(O)CCOC2)cc1
|
CP001690142718
| -33
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(CNC(=O)CC2(O)CCOC2)CCCN1C(=O)c1cc(O)ccc1Cl
|
CP001652927896
| -32.44
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
C[C@@]1(CNC(=O)CC2(O)CCOC2)CCCN1C(=O)c1cc(F)ccc1F
|
CP001690142428
| -29.79
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
C[C@@]1(CNC(=O)CC2(O)CCOC2)CCCN1C(=O)c1ccc(N)cc1F
|
CP001690142720
| -29.27
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CCc1ccc(C(=O)N2CCCC2CNC(=O)C(C)C2CCOC2)c(O)c1
|
CP002076718071
| -29.14
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1cc(F)c(O)c(F)c1
|
CP002882573202
| -29.11
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CCc1cccc(C(=O)N2CC(F)(F)CC2CNC(=O)CC2CCOC2)c1O
|
CP000590192029
| -29.04
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)c1cc(Cl)ccc1O)C1CCOC1
|
CP001683765624
| -28.25
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
C[C@@]1(CNC(=O)CC2CCOC2)CCCN1C(=O)c1ccc(F)c(O)c1F
|
CP001688735259
| -27.83
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(CNC(=O)CC2CCOC2)CCCN1C(=O)c1ccc(O)cc1
|
CP003020419959
| -27.42
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)c1ccc(N)c(O)c1)C1CCOC1
|
CP001683765645
| -27.13
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(CNC(=O)CC2CCOC2)CCCN1C(=O)c1cc(N)c(O)c(F)c1
|
CP001651520369
| -27.08
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
COC(C(=O)NC[C@@]1(C)CCCN1C(=O)c1ccc(CF)cc1)C1CCOC1
|
CP000764242207
| -26.6
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(C)CC(O)(CC(=O)NC[C@@]2(C)CCCN2C(=O)c2ccccc2)CO1
|
CP001683496606
| -26.55
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
C=Cc1ccc(C(=O)N2CCCC2(C)CNC(=O)C(C)C2CCOC2)cc1
|
CP001653217048
| -26.11
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
COc1cccc(C(=O)N2CCC(C)C2CNC(=O)C(C)C2CCOC2)c1O
|
CP000757108098
| -25.84
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(CNC(=O)CC2CCOC2)CCCN1C(=O)c1ccc(N)c(O)c1
|
CP002582877147
| -25.8
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(C)CC(CC(=O)NCC2CCCN2C(=O)c2cccc(O)c2)CO1
|
CP002884812004
| -25.17
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
Cc1ccc(C(=O)N2CCCC2(C)CNC(=O)CC2CCOC2)cc1CO
|
CP001651520285
| -25.11
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
Cc1cc(F)c(C(=O)N2CCCC2(C)CNC(=O)C(F)C2CCOC2)cc1F
|
CP000674563484
| -25.08
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(C)CC(CNC(=O)CC2COC(C)(C)C2)N(C(=O)c2cccc(F)c2)C1
|
CP000607727112
| -24.67
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C(=O)NCC1CCCN1C(=O)c1cccc(NC(N)=O)c1)C1CCOC1
|
CP001067434593
| -24.43
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)c1cc(O)cc(O)c1)C1CCOC1
|
CP001683765812
| -24.15
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C)(C)c1ccc(C(=O)N2CCC[C@@]2(C)CNC(=O)CC2CCOC2)cc1
|
CP000583469374
| -24.11
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
C[C@@]1(CNC(=O)CC2(O)CCOC2)CCCN1C(=O)c1ccccc1CO
|
CP001690142811
| -24.02
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
O=C(NCC1CCCN1C(=O)c1cccc(O)c1)C(F)C1CCOC1
|
CP003210015335
| -23.96
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
Cc1cc(N)cc(C(=O)N2CCCC2CNC(=O)C(F)C2CCOC2)c1
|
CP002884842908
| -23.91
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
COc1cc(C)ccc1C(=O)N1CCC[C@@]1(C)CNC(=O)C(C)C1CCOC1
|
CP000585177286
| -23.74
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
C[S+]([O-])c1ccc(C(=O)N2CCCC2(C)CNC(=O)CC2CCOC2)cc1
|
CP001651520178
| -23.04
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(C)CC(CNC(=O)CC2COC(C)(C)C2)N(C(=O)c2cccc(N)c2)C1
|
CP000607727327
| -22.92
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)c1ccc(F)cc1F)C1CCOC1
|
CP001683765253
| -22.88
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
O=C(CC1CCOC1)NCC1CC(F)(F)CN1C(=O)c1ccc(F)c(O)c1
|
CP001695090643
| -21.86
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
Cc1cccc(C(=O)N2CCCC2(C)CNC(=O)CC2CCOC2)c1O
|
CP002582877125
| -21.67
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CCc1ccc(N)c(C(=O)N2CCCC2CNC(=O)C(OC)C2CCOC2)c1
|
CP001065670214
| -21.15
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C)c1cccc(C(=O)N2CCCC2(C)CNC(=O)C(C)C2CCOC2)c1
|
CP000674554050
| -21.14
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CCOC(C(=O)NCC1CCCN1C(=O)c1ccc(C)cc1F)C1CCOC1
|
CP001065672261
| -21.09
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(CNC(=O)CC2(O)CCOC2)CCCN1C(=O)c1ccc(F)c(O)c1
|
CP001652927786
| -20.76
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
COC(C(=O)NC[C@]1(C)CCCN1C(=O)c1cc(C)cc(F)c1)C1CCOC1
|
CP000584063344
| -20.68
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC1(C)CC(CNC(=O)C(F)C2CCOC2)N(C(=O)c2ccc(O)c(F)c2)C1
|
CP000607744140
| -20.67
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
Cc1cc(N)cc(C(=O)N2CCC[C@]2(C)CNC(=O)CC2CCOC2)c1
|
CP002511768709
| -19.79
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CN(CC1CCCN1C(=O)c1ccc(F)c(C#N)c1)C(=O)C(F)C1CCOC1
|
CP000735062826
| -19.6
|
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C(=O)NC(C)(C)C1CCCN1C(=O)c1cc(N)cc(F)c1)C1CCOC1
|
CP000733209048
| null |
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C)(NC(=O)C(F)C1CCOC1)C1CCCN1C(=O)c1cc(N)ccc1O
|
CP000733213945
| null |
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
CC(C)c1cccc(C(=O)N2CCCC2CNC(=O)C(C)C2CCOC2)c1N
|
CP001067435080
| null |
O=C(CC1CCOC1)NCC1CCCN1C(=O)c1ccccc1
|
Cc1ccc2sc(NC[C@@H](C)NC(=O)c3csc(-c4cnc[nH]4)n3)nc2c1
|
CP001430823456
| -32.71
|
O=C(NCCNc1nc2ccccc2s1)c1csc(-c2cnc[nH]2)n1
|
Cc1ccc(N)c(C)c1C(=O)N(CCNC(=O)C1CCCn2ccnc21)C1CC1
|
CP000348994726
| -25.74
|
O=C(NCCN(C(=O)c1ccccc1)C1CC1)C1CCCn2ccnc21
|
CCc1c[nH]cc1C(=O)N1CC(CC(C)NC(=O)c2c[nH]c3ccccc23)C1
|
CP000857906032
| -24.26
|
O=C(NCCC1CN(C(=O)c2cc[nH]c2)C1)c1c[nH]c2ccccc12
|
O=C(NC1CN(c2ncnc3c2SCCC3)CC2(CCC2)C1)[C@H]1CC1(F)F
|
CP001395549084
| -20.4
|
O=C(NC1CN(c2ncnc3c2SCCC3)CC2(CCC2)C1)C1CC1
|
Cc1cnn(CC(=O)NCC2CCCN2C(=O)C(C(C)C)N2CCCC2=O)c1
|
CP001064644530
| -21.3
|
O=C(Cn1cccn1)NCC1CCCN1C(=O)CN1CCCC1=O
|
Cc1nn(CC(=O)NCC2C(C)CCN2C(=O)CN2CCCC2=O)c(C)c1C
|
CP000756986405
| -19.97
|
O=C(Cn1cccn1)NCC1CCCN1C(=O)CN1CCCC1=O
|
CC1(C)CC(CNC(=O)C(F)n2cccn2)N(C(=O)CN2CCCC2=O)C1
|
CP001754562028
| -17.7
|
O=C(Cn1cccn1)NCC1CCCN1C(=O)CN1CCCC1=O
|
Cn1ncc(C(=O)NCC[C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)c1N
|
CP001027705728
| -27.55
|
O=C(NCC[C@H]1CCCN1C(=O)c1n[nH]c2ccccc12)c1cn[nH]c1
|
Cc1ccc(C(=O)N2CCCC2C2(NC(=O)c3ccnn3CCF)CC2)[nH]1
|
CP001692614730
| -23.67
|
O=C(NC1(C2CCCN2C(=O)c2ccc[nH]2)CC1)c1ccn[nH]1
|
CCCn1cccc1C(=O)N1CCCC1C1(NC(=O)c2ccnn2C(C)C)CC1
|
CP000057320443
| -22.86
|
O=C(NC1(C2CCCN2C(=O)c2ccc[nH]2)CC1)c1ccn[nH]1
|
CC(C)c1cc(C(=O)NC2(C3CCCN3C(=O)c3ccc(C#N)[nH]3)CC2)n(C)n1
|
CP000057291928
| -20.57
|
O=C(NC1(C2CCCN2C(=O)c2ccc[nH]2)CC1)c1ccn[nH]1
|