clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
C[C@H]1CN(C(=O)C=CBr)C[C@H]1NC(=O)c1cccc(C2CC2)c1
|
CP003509323804
| -28.55
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CC(C)OCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cccc(C3CC3(F)F)c2)C1
|
CP001824359845
| -27.65
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
O=C(N[C@H]1CCN(CC(Cl)=CCl)C1)c1cccc(C2CC2)c1
|
CP003476964999
| -26.46
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CNS(=O)(=O)CCC(=O)N1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1
|
CP002957968199
| -26.43
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1
|
CP000086950064
| -26.28
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CC(C(=O)N1CC[C@H](NC(=O)c2cccc(C3(C)CC3)c2)C1)S(N)(=O)=O
|
CP002960417240
| -25.63
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
COc1ccc(C(=O)N[C@H]2CCN(CC(Cl)=CCl)C2)cc1C1CC1
|
CP003130091497
| -24.98
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
C[C@H]1CN(C(=O)C(C)(C)CCCO)C[C@H]1NC(=O)c1cccc(C2(C)CC2)c1
|
CP000826352973
| -22.41
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)c2cccc(C3(C)CC3)c2)C1
|
CP002960417031
| -22.26
|
O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1
|
COC1CC(CCC(=O)N2CC3(C2)CN(c2nc(C)c(C#N)cc2Cl)C3)C1
|
CP001463504790
| -31.73
|
O=C(CCC1CCC1)N1CC2(C1)CN(c1ccccn1)C2
|
Cc1cnc(N2CCC[C@@H]2CN(C)C(=O)c2cnoc2-c2cnn(C)c2)nc1C
|
CP000127376611
| -27.67
|
O=C(NC[C@H]1CCCN1c1ncccn1)c1cnoc1-c1cn[nH]c1
|
Cc1n[nH]c(C(=O)N2CCN(C)C(CNC(=O)c3nccnc3N)C2)c1N
|
CP002034910469
| -27.17
|
O=C(NCC1CN(C(=O)c2ccn[nH]2)CCN1)c1cnccn1
|
CCCc1cc(C(=O)N2CCN(C)C(CNC(=O)c3cnc(C)cn3)C2)n(C)n1
|
CP000072405899
| -24.58
|
O=C(NCC1CN(C(=O)c2ccn[nH]2)CCN1)c1cnccn1
|
CCC(=O)N1CCC(C(=O)N2CCC(NC(=O)c3n[nH]c(C)c3C)C(C)C2)C1
|
CP000683737385
| -26.76
|
O=C(NC1CCN(C(=O)C2CCNC2)CC1)c1cc[nH]n1
|
CCC(=O)N1CCC(C(=O)N2CCC(C)(NC(=O)c3n[nH]cc3C)CC2)C1
|
CP001789638337
| -24.13
|
O=C(NC1CCN(C(=O)C2CCNC2)CC1)c1cc[nH]n1
|
COc1cc(C(=O)NC2CCN(C(=O)C3(C)CCN(C(C)=O)C3)CC2)nn1C
|
CP001014304019
| null |
O=C(NC1CCN(C(=O)C2CCNC2)CC1)c1cc[nH]n1
|
CC1(C)CN(C(=O)c2cc3n(n2)CCCO3)CC1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1
|
CP001629104349
| -24.79
|
O=C(NC1CCN(C(=O)c2cc3n(n2)CCCO3)C1)[C@@H]1C[C@@H]2C[C@@H]2C1
|
Cc1nccnc1CN1CCC2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1
|
CP001385953780
| -41.91
|
O=C(c1ccco1)N1CCC2(CCN(Cc3cnccn3)C2)C1
|
O=C(Cc1cccc(F)c1O)N1CC[C@@H](NC(=O)C2(F)CCOCC2)C1
|
CP002961230619
| -32.18
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C(O)c3cc(F)cc(F)c3)C2)C[C@H](C)O1
|
CP001195482617
| -30.5
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
N#CCc1ccccc1CC(=O)N1CC[C@@H](NC(=O)C2CCOCC2)C1
|
CP002960937194
| -29.66
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
CC(C)C1CC(C(=O)N[C@@H]2CCN(C(=O)Cc3ccc(O)cc3)C2)CCO1
|
CP002264466635
| -28.29
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](NC(=O)C3CCOCC3)C2)cc1
|
CP002818227722
| -26.88
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
COC1(C(=O)N[C@@H]2CCN(C(=O)Cc3ccc(C(C)=O)cc3)C2)CCOCC1
|
CP000964065989
| -26.45
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
CCC1(C(=O)N[C@@H]2CCN(C(=O)Cc3ccc(O)c(OC)c3)C2)CCOCC1
|
CP000963718297
| -24.99
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
COC1(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)CCOCC1
|
CP002818241186
| -24.82
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
COc1cccc(OC)c1CC(=O)N1CC[C@@H](NC(=O)C2(C)CCOCC2)C1
|
CP001194307057
| -24.55
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
CC(C(=O)N1CC[C@@H](NC(=O)C2(C#N)CCOCC2)C1)c1ccccc1
|
CP002819440846
| -24.41
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
CCc1ccc(CC(=O)N2CC[C@@H](NC(=O)C3(C)CC(C)OC(C)C3)C2)cc1
|
CP001194056227
| -23.69
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
CCC1(C(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)CCOCC1
|
CP002817851660
| -21.5
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H](NC(=O)C2CCOC(C)C2)C1
|
CP000963717460
| -17.06
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1
|
CC1OCCCC1C(=O)N1CCOC2(CCN(c3ccncc3C#N)CC2)C1
|
CP000413123806
| -20.89
|
O=C(C1CCCOC1)N1CCOC2(CCN(c3ccncc3)CC2)C1
|
CNC(=O)NCCC(=O)NCC(F)=C1CN(C(=O)CCCc2ccsc2)C1
|
CP001770585521
| -32.86
|
C=C1CN(C(=O)CCCc2ccsc2)C1
|
Cc1nnc(N2CC(NC(=O)C(C)(O)C3CCC3)CCC2C)nc1C
|
CP002406068949
| -22.08
|
O=C(CC1CCC1)NC1CCCN(c2nccnn2)C1
|
CNC(=O)c1cc(C)nc(N2CCN(C(=O)CCCc3ccccn3)C[C@@H]2C)n1
|
CP000279403442
| -25
|
O=C(CCCc1ccccn1)N1CCN(c2ncccn2)CC1
|
Cc1cn2nc(N3CCC4(CC(NC(=O)C5CCC6CC6C5)C4)C3)sc2n1
|
CP001396695038
| -22.73
|
O=C(NC1CC2(CCN(c3nn4ccnc4s3)C2)C1)C1CCC2CC2C1
|
CC1(C(=O)N2CCCCC(C3CN(C(=O)CC4CCC(O)C4)C3)C2)COC1
|
CP002139178176
| -27.32
|
O=C(CC1CCCC1)N1CC(C2CCCCN(C(=O)C3COC3)C2)C1
|
CCC1(C(=O)N2CCCCC(C3CN(C(=O)CC4CCC(O)C4)C3)C2)COC1
|
CP000785685152
| -21.75
|
O=C(CC1CCCC1)N1CC(C2CCCCN(C(=O)C3COC3)C2)C1
|
Clc1ccc(OCc2nnc(NCc3cscn3)s2)cc1
|
CP002548692757
| -31.26
|
c1ccc(OCc2nnc(NCc3cscn3)s2)cc1
|
O=C(CC1NC(=O)NC1=O)NC1CCC(NC(=O)c2c[nH]c3ccccc23)CC1
|
CP000363125742
| -24.77
|
O=C(CC1NC(=O)NC1=O)NC1CCC(NC(=O)c2c[nH]c3ccccc23)CC1
|
COCc1nc(OC)cc(N2CCC(NC(=O)c3c[nH]c(C)c3)C23CCCC3)n1
|
CP000284170431
| -28.87
|
O=C(NC1CCN(c2ccncn2)C12CCCC2)c1cc[nH]c1
|
Cc1cn(C)cc1C(=O)NC1CCN(c2cc(OC(C)C)ncn2)C12CCCC2
|
CP000284177190
| -26.01
|
O=C(NC1CCN(c2ccncn2)C12CCCC2)c1cc[nH]c1
|
CCc1c[nH]cc1C(=O)NC1CCN(c2cc(O)ncn2)C12CCCC2
|
CP002217757926
| -25.51
|
O=C(NC1CCN(c2ccncn2)C12CCCC2)c1cc[nH]c1
|
O=C(Nc1ccc2c(c1)CCCC2=O)C1=NOC(c2ccccc2)C1
|
CP001222217241
| -37.61
|
O=C(Nc1ccc2c(c1)CCCC2=O)C1=NOC(c2ccccc2)C1
|
CC1C(NC(=O)C(C)(C)C2CC2)CCCN1C(=O)c1cnn2c1CCCC2
|
CP001624437633
| -28.31
|
O=C(CC1CC1)NC1CCCN(C(=O)c2cnn3c2CCCC3)C1
|
CC1(NC(=O)CC2CC2(C)C)CCCN(C(=O)c2cnn3c2CCCC3)C1
|
CP002039891361
| -26.78
|
O=C(CC1CC1)NC1CCCN(C(=O)c2cnn3c2CCCC3)C1
|
CN(C(=O)C(O)C1CC1)C1CCCN(C(=O)c2cnn3c2CCCC3)C1
|
CP002873653878
| -22.52
|
O=C(CC1CC1)NC1CCCN(C(=O)c2cnn3c2CCCC3)C1
|
Cc1cc(C(=O)N2CC3(C2)CN(C(=O)c2ccc4c(c2)C(=O)NC4)C3)co1
|
CP001774040491
| -18.59
|
O=C1NCc2ccc(C(=O)N3CC4(CN(C(=O)c5ccoc5)C4)C3)cc21
|
O=C1CC(C(=O)N2CCCCC(NC(=O)c3ccc4c(c3)CC4)C2)C2(CCC2)C1
|
CP000159672839
| null |
O=C1CC(C(=O)N2CCCCC(NC(=O)c3ccc4c(c3)CC4)C2)C2(CCC2)C1
|
Cc1nnc(N2CCCC(CNC(=O)CCCc3cccs3)CC2)o1
|
CP002465986523
| -24.99
|
O=C(CCCc1cccs1)NCC1CCCN(c2nnco2)CC1
|
CCn1cnnc1C(=O)N1CC(N(C)C(=O)c2c(Cl)ccc3cn[nH]c23)C1
|
CP002019708767
| -27.47
|
O=C(NC1CN(C(=O)c2nnc[nH]2)C1)c1cccc2cn[nH]c12
|
COC(Cn1c(C2CCCC2)nnc1N1CCOC2(CCOC2C)C1)C1CC1
|
CP000479908335
| -22.12
|
C1CCC(c2nnc(N3CCOC4(CCOC4)C3)n2CCC2CC2)C1
|
CC(C)N1CC(C(=O)N(CCCNC(=O)c2ccsc2)C2CC2)CC1=O
|
CP002742222404
| -23.36
|
O=C1CC(C(=O)N(CCCNC(=O)c2ccsc2)C2CC2)CN1
|
CCC1=NOC(C(=O)N[C@H]2CCCCN(C(=O)C3(OC)CCCCC3)C2)C1
|
CP002151866427
| -25.21
|
O=C(N[C@H]1CCCCN(C(=O)C2CCCCC2)C1)C1CC=NO1
|
CC1=NOC(C(=O)N[C@H]2CCCCN(C(=O)C3CCC(NC(N)=O)CC3)C2)C1
|
CP000942457712
| -19.77
|
O=C(N[C@H]1CCCCN(C(=O)C2CCCCC2)C1)C1CC=NO1
|
CC1=NOC(C(=O)N[C@H]2CCCCN(C(=O)C3(C)CCCCC3(F)F)C2)C1
|
CP002151863821
| null |
O=C(N[C@H]1CCCCN(C(=O)C2CCCCC2)C1)C1CC=NO1
|
CC(C)c1nnc(C=CC(=O)NCC2CCN2C(=O)C2CCCC(F)(F)C2)o1
|
CP001252594643
| -22.85
|
O=C(C=Cc1nnco1)NCC1CCN1C(=O)C1CCCCC1
|
CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cncn2C)[nH]1
|
CP003026188667
| -24.61
|
O=C(NC[C@H]1CCCN1C(=O)c1ccc[nH]1)c1cnc[nH]1
|
COC(=O)c1cnc(NCCC2CCN(C(=O)C3(C)CCCOC3)C2)cn1
|
CP001437737840
| -29.93
|
O=C(C1CCCOC1)N1CCC(CCNc2cnccn2)C1
|
CCCN(CCNC(=O)c1ccc(C2CC2)cc1)C(=O)C=Cc1ncc[nH]1
|
CP002077804878
| -60.37
|
O=C(C=Cc1ncc[nH]1)NCCNC(=O)c1ccc(C2CC2)cc1
|
Cc1c[nH]c(C=CC(=O)NCCN(C)C(=O)c2ccc(C3CC3)cc2)n1
|
CP002890679442
| -28.14
|
O=C(C=Cc1ncc[nH]1)NCCNC(=O)c1ccc(C2CC2)cc1
|
CCCN(CCNC(=O)C=Cc1nc(C)c[nH]1)C(=O)c1ccc(C2CC2)cc1
|
CP001070385348
| -25.4
|
O=C(C=Cc1ncc[nH]1)NCCNC(=O)c1ccc(C2CC2)cc1
|
CC1(C(=O)NCC2CCN2C(=O)c2cccc3c2NCCC3)CCCCNC1=O
|
CP000177367568
| -32.23
|
O=C1NCCCCC1C(=O)NCC1CCN1C(=O)c1cccc2c1NCCC2
|
Cc1nc(C)c(CC(=O)N2CCC(NC(=O)C(C)N3CCC3)CC2)c(=O)[nH]1
|
CP001961457679
| -43.96
|
O=C(CN1CCC1)NC1CCN(C(=O)Cc2cnc[nH]c2=O)CC1
|
N[C@@H](COCc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1
|
CP000405033810
| -31.22
|
O=C(CCOCc1ccccc1)Nc1cccc(C(=O)N2CCSCC2)c1
|
CCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C1CCCC1C
|
CP003488547732
| -42.74
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
COC1(C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CCCC1
|
CP003490001670
| -41.82
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CCCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C1CCCC1CC
|
CP003465706369
| -40.57
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(C)CC(CNC(=O)[C@@H]1CCCN1C)NC(=O)C1(O)CCCC1
|
CP003436210374
| -38.43
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC1CCC(C(=O)NC[C@H](C)NC(=O)[C@@H]2CCCN2C)C1
|
CP001301916579
| -34.85
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CCC1CCCC1C(=O)N(C)CC(C)NC(=O)[C@@H]1CCCN1CC(F)(F)F
|
CP002195799539
| -23.21
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NC(=O)C1CCC(F)C1
|
CP003501609617
| -22.93
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(=O)N1CCC[C@H]1C(=O)NCC(C)NC(=O)C1CCCC1
|
CP003486196838
| -21.58
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
C=CCC1(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)CCCC1
|
CP002760626519
| -21.54
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CCCCC(CNC(=O)C1(O)CCCC1)NC(=O)[C@@H]1CCCN1C(C)=O
|
CP002671485490
| -21.34
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(=O)N1CCC[C@H]1C(=O)NCCN(C)C(=O)C1CCCC1
|
CP003489427345
| -21.28
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C1CCC(C)C1
|
CP003501652470
| -20.92
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CCC1CCCC1(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O
|
CP003259014095
| -20.5
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)C1CCCC1)C(C)C
|
CP003437431802
| -20.38
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(CN(C)C(=O)C1(C#N)CCCC1)NC(=O)[C@@H]1CCCN1CC(F)(F)F
|
CP002195799648
| -18.09
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CCC1CCCC1(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O
|
CP002940933068
| -15.11
|
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
COCCN(CCNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C(=O)C1(C)CCC(C)C1
|
CP000580739370
| null |
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C(C)CNC(=O)C1(CC(C)C)CCCC1
|
CP001038463772
| null |
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CCOCCC1(C(=O)N(CC)CCNC(=O)[C@@H]2CCCN2C(C)=O)CCCC1
|
CP001062023303
| null |
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
C=CCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)CCCC1
|
CP003438998099
| null |
O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1
|
CC1CC1C1CC1C(=O)N(C)CC1COCCN1C(=O)C(C)N1CCOCC1
|
CP000585895729
| -25.25
|
O=C(NCC1COCCN1C(=O)CN1CCOCC1)C1CC1C1CC1
|
CC(C)c1nsc(CN2CCC2CNC(=O)C2C3CCCC32)n1
|
CP003349156304
| -30.41
|
O=C(NCC1CCN1Cc1ncns1)C1C2CCCC21
|
CN1CCC(C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2nnn3ccccc23)C1=O
|
CP000008586563
| -31.26
|
O=C1NCCC1C(=O)NC[C@@H]1CCCCN1C(=O)c1nnn2ccccc12
|
Cn1c(NCc2cn(CC3CC3)nn2)nc2ccc(Br)cc21
|
CP001665074618
| -52.76
|
c1ccc2[nH]c(NCc3cn(CC4CC4)nn3)nc2c1
|
CCOC(=O)c1cc(C)nnc1NC1CCCC(NC(=O)c2ccncc2)C1
|
CP000503848473
| -26.52
|
O=C(NC1CCCC(Nc2cccnn2)C1)c1ccncc1
|
CC(CCNC(=O)CNC(=O)c1ccccn1)N(C)C(=O)Cc1cscn1
|
CP001723179432
| -23.21
|
O=C(CNC(=O)c1ccccn1)NCCCNC(=O)Cc1cscn1
|
CCCn1nnnc1CN1CCC(NC(=O)Cc2c(C)cc(C)[nH]c2=O)CC1
|
CP000496367613
| -25.31
|
O=C(Cc1ccc[nH]c1=O)NC1CCN(Cc2nnn[nH]2)CC1
|
CC(=Cc1ccc(F)cc1)C(=O)N1C[C@]2(C)CSC[C@]2(C)C1
|
CP001676703689
| -19.11
|
O=C(C=Cc1ccccc1)N1CC2CSCC2C1
|
CC1CC2(C)CC(C)(C1)CC(C(=O)O)(n1nnc(C3CN4CCC3CC4)n1)C2
|
CP000243242783
| -15.66
|
C1CC2CC(C1)CC(n1nnc(C3CN4CCC3CC4)n1)C2
|
O=C1CCC(CC(=O)NC2CCCN(C(=O)c3cn(CCO)nn3)C2)CN1
|
CP001976289105
| -22.53
|
O=C1CCC(CC(=O)NC2CCCN(C(=O)c3c[nH]nn3)C2)CN1
|
COC(=O)c1cc(NC(=O)NCc2cccc(N3CCCC3=O)c2)c(C)cc1C
|
CP000060038907
| -32.02
|
O=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccccc1
|
CC(C)Oc1ccc(NC(=O)NCc2cccc(N3CCCC3=O)c2)cc1
|
CP000521892322
| -29.16
|
O=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccccc1
|
CC1(C)NC(=O)N(CC(=O)NC2CCN(c3ccccc3C(F)(F)F)C2)C1=O
|
CP000403905191
| -23.73
|
O=C(CN1C(=O)CNC1=O)NC1CCN(c2ccccc2)C1
|
CN(CCC1CCN(C(=O)C2(O)COC2)CC1)C(=O)Cc1ccnc(N)c1
|
CP002089586619
| -48.29
|
O=C(Cc1ccncc1)NCCC1CCN(C(=O)C2COC2)CC1
|
O=C(Cc1ccncc1Cl)NCCC1CCN(C(=O)C2(CO)COC2)CC1
|
CP001941145204
| -20.6
|
O=C(Cc1ccncc1)NCCC1CCN(C(=O)C2COC2)CC1
|
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