clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
CCc1noc(C(=O)N2CC3CC(NC(=O)c4ccc5cccnc5c4)C3C2)n1
|
CP000204101164
| -25.39
|
O=C(NC1CC2CN(C(=O)c3ncno3)CC21)c1ccc2cccnc2c1
|
NC(=O)C1(C(=O)NCC2CCCC23CCN(C(=O)[C@H]2CCC(=O)O2)CC3)CC1
|
CP000711715594
| -18.81
|
O=C1CC[C@H](C(=O)N2CCC3(CCCC3CNC(=O)C3CC3)CC2)O1
|
CC(Oc1cccnc1)C(=O)NC1CCCN(CCOC2CCCCC2C)C1
|
CP000497451027
| -33.74
|
O=C(COc1cccnc1)NC1CCCN(CCOC2CCCCC2)C1
|
Cc1ccc(C(=O)NC2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)n1C
|
CP000358792168
| -30.05
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
CCc1c[nH]c(C(=O)NC2(CC)CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1
|
CP000112926011
| -29.9
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
CCC1(NC(=O)c2ccc(C)[nH]2)CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1
|
CP000113007817
| -29.67
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
Cc1ccccc1C1(C(=O)N2CCC(NC(=O)c3ccc[nH]3)C(O)C2)CC1
|
CP001620209872
| -26.53
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
CC1CN(C(=O)C2(c3ccccc3F)CC2)CCC1NC(=O)c1ccc(C#N)[nH]1
|
CP000038048231
| -26.04
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
CCCc1ccc(C(=O)NC2CCN(C(=O)C3(c4ccccc4)CC3)CC2F)[nH]1
|
CP000082895731
| -25.43
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
Cc1ccc(F)cc1C1(C(=O)N2CCC(NC(=O)c3cccn3C)CC2)CC1
|
CP001012810968
| -25.33
|
O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccc[nH]1
|
CSCC(C)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=C[S+]([O-])CCC1
|
CP002989666766
| -23.12
|
O=C(NCC1NCCC1C1CC1)C1=C[SH+]CCC1
|
CC=C(CC)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=C[S+]([O-])CCC1
|
CP002989666815
| -22.33
|
O=C(NCC1NCCC1C1CC1)C1=C[SH+]CCC1
|
CC=CC=CC(=O)N1CCC(C2CC2)C1CNC(=O)C1=C[S+]([O-])CCC1
|
CP002989666865
| -21.73
|
O=C(NCC1NCCC1C1CC1)C1=C[SH+]CCC1
|
CSCCC(=O)N1CCC(C2CC2)C1CNC(=O)C1=C[S+]([O-])CCC1
|
CP003038797157
| -20.11
|
O=C(NCC1NCCC1C1CC1)C1=C[SH+]CCC1
|
Cc1c(C(=O)NC(C)C2(O)CN(c3ncnc(N)n3)C2)sc2nccn12
|
CP002225267603
| -28.27
|
O=C(NCC1CN(c2ncncn2)C1)c1cn2ccnc2s1
|
Cn1nc(O)cc1C(=O)NCC1CCCN1C(=O)c1cnc2ccsc2c1
|
CP002075849380
| -29.34
|
O=C(NCC1CCCN1C(=O)c1cnc2ccsc2c1)c1ccn[nH]1
|
CCc1cccc(C(=O)N2CC3CCC(NC(=O)CCc4cn(C)nn4)C3C2)n1
|
CP000362394078
| -26.18
|
O=C(CCc1c[nH]nn1)NC1CCC2CN(C(=O)c3ccccn3)CC21
|
Cn1cc(C(=O)N2CCC(NC(=O)CCOc3cccnc3)C(F)C2)c(N)n1
|
CP000815079254
| -25.18
|
O=C(CCOc1cccnc1)NC1CCN(C(=O)c2cn[nH]c2)CC1
|
O=C1CCC(C(=O)NCC2CN(C(=O)c3ccc(Cl)c(O)c3)CCCO2)N1
|
CP001593895026
| -25.75
|
O=C1CCC(C(=O)NCC2CN(C(=O)c3ccccc3)CCCO2)N1
|
Cc1cc(C(=O)N2CCCOC(CNC(=O)C3CCC(=O)N3)C2)ccc1Cl
|
CP001593894644
| -21.43
|
O=C1CCC(C(=O)NCC2CN(C(=O)c3ccccc3)CCCO2)N1
|
Cc1cccc(C)c1NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCSCC1
|
CP002259675427
| -23.88
|
O=C(CNc1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCSCC1
|
CCN(CCNC(=O)c1cccc2cn[nH]c12)C(=O)C12COC(CCO1)C2
|
CP002071145371
| -21.34
|
O=C(NCCNC(=O)C12COC(CCO1)C2)c1cccc2cn[nH]c12
|
C=Cn1nccc1C(=O)N1CC2CC1(CNC(=O)Cc1cnnn1C)C2
|
CP002757523091
| -21.31
|
O=C(Cc1cnn[nH]1)NCC12CC(CN1C(=O)c1ccn[nH]1)C2
|
CCc1noc(C(=O)N2CC(NC(=O)[C@@H]3CC=CCC3)C3(CCOCC3)C2)n1
|
CP000795884372
| -23.52
|
O=C(NC1CN(C(=O)c2ncno2)CC12CCOCC2)[C@@H]1CC=CCC1
|
C=C1CCC1C(=O)NCCC1CSCCN1C(=O)Cc1c(C)nn(C)c1C
|
CP001660268820
| -22.54
|
C=C1CCC1C(=O)NCCC1CSCCN1C(=O)Cc1cn[nH]c1
|
CC(O)(CC(=O)NCCC1=CCN(C(=O)CCn2cccn2)CC1)C1CC1
|
CP001595850406
| -24.26
|
O=C(CCC1CC1)NCCC1=CCN(C(=O)CCn2cccn2)CC1
|
Cc1c(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(=O)[nH]c3=O)C2)c(C(F)F)nn1C
|
CP001195736726
| -27.88
|
O=C(N[C@@H]1CCN(C(=O)c2cn[nH]c2)C1)c1c[nH]c(=O)[nH]c1=O
|
N#Cc1ccc(N2CCCC(CCNC(=O)C3Cc4ccncc4C3)CC2)cn1
|
CP000291188942
| -37.06
|
O=C(NCCC1CCCN(c2cccnc2)CC1)C1Cc2ccncc2C1
|
O=C(c1ccc2[nH]ncc2n1)N1CCOC2(C1)CN(C(=O)[C@@H]1CCOC1)C2
|
CP002016608351
| -22.06
|
O=C(c1ccc2[nH]ncc2n1)N1CCOC2(C1)CN(C(=O)[C@@H]1CCOC1)C2
|
Cn1ncc(Cl)c1CC(=O)NCC1CN(C(=O)c2ccc3cn[nH]c3c2)C1
|
CP002449377435
| -24.41
|
O=C(Cc1ccn[nH]1)NCC1CN(C(=O)c2ccc3cn[nH]c3c2)C1
|
COc1ccc(C2C(C(=O)N3CC(O)CC4(CCC4)C3)CCC(=O)N2C)cc1
|
CP000388468787
| -18.87
|
O=C1CCC(C(=O)N2CCCC3(CCC3)C2)C(c2ccccc2)N1
|
O=C(c1ccc(Oc2ccc(F)cc2)s1)N1CC2(CCOCC2)CC1CO
|
CP000535648348
| -27.15
|
O=C(c1ccc(Oc2ccccc2)s1)N1CCC2(CCOCC2)C1
|
C=C1CCC1(C(=O)O)C(=O)Nc1cccc2c1OCCC2
|
CP002276792190
| -6.74
|
C=C1CCC1C(=O)Nc1cccc2c1OCCC2
|
CCN(C(=O)C1=CCOCC1)C1CCN(C(=O)C2CCNc3ccccc32)C1
|
CP000964998505
| -29.24
|
O=C(NC1CCN(C(=O)C2CCNc3ccccc32)C1)C1=CCOCC1
|
CC1=C(C)CC(C)(C(=O)NCCC2=CCN(Cc3nccc(C)n3)CC2)CC1
|
CP000493418645
| -43.59
|
O=C(NCCC1=CCN(Cc2ncccn2)CC1)C1CC=CCC1
|
CCn1cnc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1
|
CP001545455010
| -26.13
|
O=C(CC1CCN(C(=O)c2c[nH]cn2)CC1)N1CCCC1
|
CC1CN(C(=O)c2ccc[nH]2)CC1CNC(=O)C1(c2ncccc2F)CC1
|
CP001998101334
| -23.16
|
O=C(c1ccc[nH]1)N1CCC(CNC(=O)C2(c3ccccn3)CC2)C1
|
CC(CNC(=O)C1CCN(CCO)C(=O)C1)NC(=O)C[C@@H]1CC=CCC1
|
CP002983242037
| -23.91
|
O=C1CC(C(=O)NCCNC(=O)C[C@@H]2CC=CCC2)CCN1
|
CC(CNC(=O)C1CCN(CCO)C(=O)C1)N(C)C(=O)C[C@@H]1CC=CCC1
|
CP001953560567
| -21.72
|
O=C1CC(C(=O)NCCNC(=O)C[C@@H]2CC=CCC2)CCN1
|
CC(CN(C)C(=O)C1CCN(CCO)C(=O)C1)NC(=O)C[C@@H]1CC=CCC1
|
CP002195671229
| -16.7
|
O=C1CC(C(=O)NCCNC(=O)C[C@@H]2CC=CCC2)CCN1
|
FC(F)c1cccc(CNCCc2ccc3c(c2)OCCO3)c1
|
CP001525015838
| -42.43
|
c1ccc(CNCCc2ccc3c(c2)OCCO3)cc1
|
CCC(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccc(OC)cc1
|
CP001163761536
| -38.73
|
c1ccc(CNCCc2ccc3c(c2)OCCO3)cc1
|
C=C(C)COc1cc(CNCCc2ccc3c(c2)OCCO3)ccc1OC
|
CP000528120002
| -36.96
|
c1ccc(CNCCc2ccc3c(c2)OCCO3)cc1
|
Cc1ccc(CNC[C@H](O)c2ccc3c(c2)OCCO3)cc1OC(F)F
|
CP001041741732
| -34.79
|
c1ccc(CNCCc2ccc3c(c2)OCCO3)cc1
|
CC(C)C(NCCc1ccc2c(c1)OCCO2)c1ccc(O)cc1F
|
CP001163997716
| -33.08
|
c1ccc(CNCCc2ccc3c(c2)OCCO3)cc1
|
COc1cc(CNCC(O)c2cc(Cl)c3c(c2)OCCO3)cc(OC)c1
|
CP001041957056
| -31.65
|
c1ccc(CNCCc2ccc3c(c2)OCCO3)cc1
|
C=CC(CC)CC(=O)N1CC(CCNc2nnc(-c3ccon3)s2)(OC)C1
|
CP001392154323
| -26.45
|
c1cc(-c2nnc(NCCC3CNC3)s2)no1
|
COC(=O)c1ccc(-c2cn(C3CCNC3)nn2)s1
|
CP002865311253
| -40.1
|
c1csc(-c2cn(C3CCNC3)nn2)c1
|
Cn1cc(CCC(=O)N2CCOC3(CCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)nn1
|
CP000788281653
| -21.78
|
O=C1CC[C@@H](C(=O)N2CCC3(CN(C(=O)CCc4c[nH]nn4)CCO3)C2)N1
|
CC1(C(=O)NC[C@]2(C)CCCN2C(=O)c2ccn(-c3ccccc3)n2)COC1
|
CP000584597003
| -32.59
|
O=C(NCC1CCCN1C(=O)c1ccn(-c2ccccc2)n1)C1COC1
|
C=CCC(C(=O)N1CCC(CF)(NC(=O)C=C2CCN(C)C2)C1)c1ccccc1
|
CP000009130350
| -52.87
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CCCOc1cccc(CC(=O)N2CCC(C)(NC(=O)C=C3CCN(C)C3)C2)c1
|
CP000088477560
| -51.19
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CN1CCC(=CC(=O)NC2CN(C(=O)[C@@H](O)c3ccccc3)CC2(C)C)C1
|
CP001629490185
| -49.31
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
COc1ccc(CC(=O)N2CC(NC(=O)C=C3CCN(C)C3)CC2C)cc1O
|
CP000766599754
| -48.95
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CN1CCC(=CC(=O)NC2CCN(C(=O)Cc3c(F)cccc3Cl)C2)C1
|
CP002983921942
| -47.56
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CN1CCC(=CC(=O)NC2CCN(C(=O)Cc3cc(F)ccc3F)C2(C)C)C1
|
CP000680687595
| -47.55
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CN1CCC(=CC(=O)NC2CN(C(=O)Cc3ccc(C#N)cc3F)CC2(C)C)C1
|
CP000259508940
| -44.12
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CN1CCC(=CC(=O)NC2(C)CCN(C(=O)Cc3ccccc3CC#N)C2)C1
|
CP000700285424
| -41.87
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
CCN(C(=O)C=C1CCN(C)C1)C1CCN(C(=O)C(C)(C)c2ccccc2C)C1
|
CP000374425491
| -36.07
|
O=C(C=C1CCNC1)NC1CCN(C(=O)Cc2ccccc2)C1
|
O=C(C=CC1CCOC1)NCCC1(CNC(=O)C23CCOC2CCOC3)CC1
|
CP000638018395
| -23.3
|
O=C(C=CC1CCOC1)NCCC1(CNC(=O)C23CCOC2CCOC3)CC1
|
Cn1c(=O)cc(NCCCNC(=O)CNC(=O)Nc2ccccc2)[nH]c1=O
|
CP001295546568
| -25.34
|
O=C(CNC(=O)Nc1ccccc1)NCCCNc1cc(=O)[nH]c(=O)[nH]1
|
O=C(CN1CCCCC1)NCC1CN(C(=O)C2CC3CCC2CC3)CCO1
|
CP001948973475
| -17.61
|
O=C(CN1CCCCC1)NCC1CN(C(=O)C2CC3CCC2CC3)CCO1
|
CC(=O)N1CSC[C@H]1C(=O)NCC(NC(=O)C(C)(C)n1cnnn1)C1CC1
|
CP002198518100
| -21.08
|
O=C(Cn1cnnn1)NC(CNC(=O)[C@@H]1CSCN1)C1CC1
|
CC(CCCNC(=O)C1=CCC1)NC(=O)Cn1ccccc1=O
|
CP003497116255
| -19.68
|
O=C(Cn1ccccc1=O)NCCCCNC(=O)C1=CCC1
|
CCC(C)(C#N)C(=O)N1CC2(CNC(=O)c3cccc4nncn34)CC1CO2
|
CP001004560668
| -27.11
|
O=C(NCC12CNC(CO1)C2)c1cccc2nncn12
|
COC(C)(C)CC(=O)N1CC2(CNC(=O)c3cccc4nncn34)CC1CO2
|
CP001004560680
| -24.29
|
O=C(NCC12CNC(CO1)C2)c1cccc2nncn12
|
Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)COc2c(C)nn(C)c2C)c[nH]1
|
CP001645512075
| -24.63
|
O=C(COc1cn[nH]c1)NC[C@@H]1CCCN1C(=O)c1cc[nH]c1
|
CCn1cc(C(=O)N2CC[C@H](CNC(=O)C3CCCN3C3CCCC3)C2)cn1
|
CP001102322320
| -40.4
|
O=C(NC[C@H]1CCN(C(=O)c2cn[nH]c2)C1)C1CCCN1C1CCCC1
|
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCCN2CCOC2=O)C1
|
CP001346977031
| -15.67
|
O=C(NCCN1CCOC1=O)C1CCC1
|
CCN(C)CC(=O)NC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP001961574204
| -39.93
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CN(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(cnn2C)[nH]c1=O
|
CP002009902374
| -34.46
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC(=CC(=O)NC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C(C)C1)C(C)C
|
CP000253191392
| -30.34
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC1CC(NC(=O)COC(F)F)CCN1C(=O)c1cc2c(cnn2C)[nH]c1=O
|
CP000869495988
| -29.3
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
C[C@@H](O)C(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(cnn2C)[nH]c1=O
|
CP002690080716
| -28.38
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC(=O)[C@@H]1CCCCN1C(=O)c1cc2c(cnn2C)[nH]c1=O
|
CP001668877429
| -26.37
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
Cn1ncc2[nH]c(=O)c(C(=O)N3CCCC[C@H]3CNC(=O)C(N)=O)cc21
|
CP002664255704
| -26.36
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CN(C(=O)C#CC(C)(C)C)C1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP000158884277
| -23.32
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
Cn1ncc2[nH]c(=O)c(C(=O)N3CCC(C(C)(C)F)CC3)cc21
|
CP001539777327
| -23.27
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCC1CN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CCC1NC(=O)CCF
|
CP002199784755
| -23.23
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CSC=CC(=O)NCC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP001958245819
| -23.05
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
C=CCC1(NC(C)=O)CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP002590557086
| -22.22
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CN(C)C(=O)CC(=O)NC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP001014127316
| -21.93
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC(C)CNC1(CO)CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP001046578916
| -21.71
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCCC(=O)NC(C)C1(O)CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP000747172315
| -21.54
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCCCC(=O)NCC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP001956514593
| -21.29
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC(C)=CC(=O)NC1CCC(C)N(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP001587236884
| -21.03
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
C=CC=CCC(=O)N(C)CC1CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP000338418054
| -20.66
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CN(C(=O)CCCCC#N)C1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP000075411270
| -20.25
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCOCC(=O)N(C)CC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1
|
CP001137250360
| -20.25
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
Cn1ncc2[nH]c(=O)c(C(=O)N3CCCC(NC(=O)C=CC(N)=O)C3)cc21
|
CP002233433033
| -19.57
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
C=C(C)CC(=O)NCC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1C
|
CP000643208745
| -19.45
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCC(CC)CC(=O)NC1CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP000983242869
| -19.05
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP001141552574
| -18.93
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
C=C(C)CCC(=O)NC[C@H]1CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP000840277597
| -17.85
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCN(CC1CCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)CC1)C(=O)CO
|
CP001890035729
| -17.74
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CC(CO)C(=O)N(C)C1CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP002064296453
| -17.59
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CCOC(=O)C1C(C)CC(C)N(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1C
|
CP000534514556
| -17.47
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
COC(C)CC(=O)NC1CCCN(C(=O)c2cc3c(cnn3C)[nH]c2=O)C1
|
CP001975420747
| -16.15
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
COCC(=O)C1CCCCN1C(=O)c1cc2c(cnn2C)[nH]c1=O
|
CP001351979155
| -13.91
|
O=C(c1cc2[nH]ncc2[nH]c1=O)N1CCCCC1
|
CN(C(=O)c1ncncc1Cl)C1CN(C(=O)Cc2sc(O)nc2O)C1
|
CP003232055052
| -27.92
|
O=C(NC1CN(C(=O)Cc2cncs2)C1)c1ccncn1
|
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