clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -53.9
401
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
CCOC1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)C1
|
CP001283596698
| -25.52
|
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC1
|
N#CC1(C(=O)NC2CCCN(C(=O)C3CCSc4ccccc43)C2)CCOC1
|
CP001010430899
| -29.49
|
O=C(NC1CCCN(C(=O)C2CCSc3ccccc32)C1)C1CCOC1
|
CCCn1cccc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc2ccsc2[nH]1
|
CP000597789123
| -26.97
|
O=C(NC[C@@H]1CCCN1C(=O)c1ccc[nH]1)c1cc2ccsc2[nH]1
|
O=C(CCOCc1ccccc1)NC1CCN(C(=O)C2CCNC2=O)CC1
|
CP001959075260
| -27.59
|
O=C(CCOCc1ccccc1)NC1CCN(C(=O)C2CCNC2=O)CC1
|
Cn1cnc(C(=O)N2CCOCC(CNC(=O)c3cccc(Cl)c3)C2)c1
|
CP002603538296
| -30.96
|
O=C(NCC1COCCN(C(=O)c2c[nH]cn2)C1)c1ccccc1
|
CCn1cnc(C(=O)N2CCOCC(CNC(=O)c3cccc(N(C)C)c3)C2)c1
|
CP000045587653
| -30.11
|
O=C(NCC1COCCN(C(=O)c2c[nH]cn2)C1)c1ccccc1
|
CCc1ccc(F)cc1C(=O)NCC1COCCN(C(=O)c2c[nH]c(C)n2)C1
|
CP000750635724
| -28.16
|
O=C(NCC1COCCN(C(=O)c2c[nH]cn2)C1)c1ccccc1
|
Cn1cnc(C(=O)N2CCOCC(CNC(=O)c3c(F)cccc3F)C2)c1
|
CP001863082827
| -24.41
|
O=C(NCC1COCCN(C(=O)c2c[nH]cn2)C1)c1ccccc1
|
Cc1[nH]cnc1C(=O)N1CCOCC(CNC(=O)c2ccccc2F)C1
|
CP002603371475
| -19.6
|
O=C(NCC1COCCN(C(=O)c2c[nH]cn2)C1)c1ccccc1
|
CCc1ccc2occ(C(=O)N3CC4C(CNC(=O)c5cn[nH]c5C)C4C3)c2c1
|
CP000260177148
| -27.06
|
O=C(NCC1C2CN(C(=O)c3coc4ccccc34)CC12)c1cn[nH]c1
|
COC12CCC(C(=O)NCC3(C)CC(F)(F)CN3C(=O)C3CCCC3)(CC1)C2
|
CP000583360229
| -17.23
|
O=C(C1CCCC1)N1CCCC1CNC(=O)C12CCC(CC1)C2
|
CCn1cc(C(=O)N2CCCC(C(C)NC(=O)c3ccn4nccc4n3)C2)cn1
|
CP000359687259
| -27.76
|
O=C(NCC1CCCN(C(=O)c2cn[nH]c2)C1)c1ccn2nccc2n1
|
Cn1c(Cl)cnc1C(=O)N[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)C1
|
CP002335013643
| -31.73
|
O=C(N[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)C1)c1ncc[nH]1
|
O=C(Cc1cn2ccccc2n1)NCC[C@H]1CCCN1Cc1ccc(Cl)cc1
|
CP000544251437
| -27.52
|
O=C(Cc1cn2ccccc2n1)NCC[C@H]1CCCN1Cc1ccccc1
|
CC(C)=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CC2(F)F)n1
|
CP002259639576
| -18.32
|
O=C(c1ccn(C2CC2)n1)N1C[C@@H]2C[C@H]1CN2
|
N#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CC2(F)F)n1
|
CP002260095705
| -15.37
|
O=C(c1ccn(C2CC2)n1)N1C[C@@H]2C[C@H]1CN2
|
CCOc1cc(N2CC3(CN(C(=O)c4coc(C5CCOCC5)n4)C3)C2)ncn1
|
CP000291025721
| -28.03
|
O=C(c1coc(C2CCOCC2)n1)N1CC2(C1)CN(c1ccncn1)C2
|
O=C(NC1CN(C(=O)CC2CC=CC2)CC2(CCC2)C1)C1Cc2ccc(F)cc21
|
CP000016921988
| -17.5
|
O=C(NC1CN(C(=O)CC2CC=CC2)CC2(CCC2)C1)C1Cc2ccccc21
|
CN(C[C@@H]1CCCCN1C(=O)c1cccc2c1COC2)C(=O)C1(N(C)C)CCC1
|
CP000008586155
| null |
O=C(NC[C@@H]1CCCCN1C(=O)c1cccc2c1COC2)C1CCC1
|
CC1=NOC(C(=O)N2CC3CCC2CN3C(=O)c2cc3cccnc3[nH]2)C1
|
CP001992415388
| -21.87
|
O=C(c1cc2cccnc2[nH]1)N1CC2CCC1CN2C(=O)C1CC=NO1
|
C=C1CC(C(=O)NCC23CC(CN2C(=O)C(CC)Oc2cccc(C)c2)C3)C1
|
CP000939528375
| -19.5
|
C=C1CC(C(=O)NCC23CC(CN2C(=O)COc2ccccc2)C3)C1
|
Cc1[nH]cnc1CC(=O)N1CCCCC1C1CCN(c2nnco2)C1
|
CP002398127705
| -18.31
|
O=C(Cc1c[nH]cn1)N1CCCCC1C1CCN(c2nnco2)C1
|
O=C(NC1CCN(C(=O)C2(c3ccncc3)CC2)C1)C1CSc2ccccc21
|
CP001243086307
| -25.89
|
O=C(NC1CCN(C(=O)C2(c3ccncc3)CC2)C1)C1CSc2ccccc21
|
O=C(C1=COCCC1)N1CCC(Nc2ncncc2Cl)(c2ccccc2)C1
|
CP001447556010
| -20.93
|
O=C(C1=COCCC1)N1CCC(Nc2ccncn2)(c2ccccc2)C1
|
O=C(C1=COCCC1)N1CCC(Nc2cc(O)ncn2)(c2ccccc2)C1
|
CP001447556023
| -16.88
|
O=C(C1=COCCC1)N1CCC(Nc2ccncn2)(c2ccccc2)C1
|
CCC(C(=O)N1CCC[C@@H](NC(=O)c2cc(C)ns2)C1)N1CCCC1=O
|
CP002954107048
| -19.85
|
O=C(N[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1)c1ccns1
|
CC(=O)c1cccc(NC(=O)Cn2c3c(sc2=O)CCCCC3)c1
|
CP001910121165
| -15.97
|
O=C(Cn1c2c(sc1=O)CCCCC2)Nc1ccccc1
|
Cc1nccn1CCCC(=O)NCCN(C)C(=O)CCn1ccnc1C(C)C
|
CP001089997223
| -18.64
|
O=C(CCCn1ccnc1)NCCNC(=O)CCn1ccnc1
|
Cc1nccn1CCCC(=O)NCC(C)N(C)C(=O)CC(C)n1ccnc1
|
CP001951609895
| -18.04
|
O=C(CCCn1ccnc1)NCCNC(=O)CCn1ccnc1
|
CC(CNC(=O)CCCn1ccnc1)NC(=O)CC(C)n1ccnc1
|
CP003314596313
| -14.08
|
O=C(CCCn1ccnc1)NCCNC(=O)CCn1ccnc1
|
CN1CCC(C(=O)NCCOCCCNC(=O)c2cc(C(F)F)ncn2)C1=O
|
CP000774284550
| -25.44
|
O=C(NCCCOCCNC(=O)C1CCNC1=O)c1ccncn1
|
CCc1nnsc1C(=O)NC1(CNC(=O)CCc2ccccn2)CCC1
|
CP002690646214
| -22.1
|
O=C(CCc1ccccn1)NCC1(NC(=O)c2cnns2)CCC1
|
NC(=O)c1cccc(C(=O)N2CCC(CNC(=O)[C@@H]3CNC(=O)N3)C23CC3)c1
|
CP001250392263
| -17.11
|
O=C1NC[C@@H](C(=O)NCC2CCN(C(=O)c3ccccc3)C23CC3)N1
|
CC(NC(=O)C1=CCCOCC1)C1(O)CN(C(=O)CCC2CCOCC2)C1
|
CP001768619829
| -17.82
|
O=C(NCC1CN(C(=O)CCC2CCOCC2)C1)C1=CCCOCC1
|
CC1(C)CCC(C(=O)N2CCN(C(=O)c3[nH]ccc3C3CC3)CC2)CC1
|
CP002809228771
| -25.32
|
O=C(c1[nH]ccc1C1CC1)N1CCN(C(=O)C2CCCCC2)CC1
|
C[C@@H]1CN(C(=O)c2[nH]ccc2C2CC2)CCN1C(=O)C1(F)CCCCC1
|
CP002995337971
| -24.76
|
O=C(c1[nH]ccc1C1CC1)N1CCN(C(=O)C2CCCCC2)CC1
|
C[C@H]1CN(C(=O)c2[nH]ccc2C2CC2)CCN1C(=O)[C@H]1CC[C@H](C)CC1
|
CP002997715718
| -24.49
|
O=C(c1[nH]ccc1C1CC1)N1CCN(C(=O)C2CCCCC2)CC1
|
CC1CN(C(=O)c2[nH]ccc2C2CC2)CCN1C(=O)C1CCCC(F)C1
|
CP002585126995
| -23.22
|
O=C(c1[nH]ccc1C1CC1)N1CCN(C(=O)C2CCCCC2)CC1
|
CC1CCCC(C(=O)N2CCN(C(=O)c3[nH]ccc3C3CC3)CC2C)C1
|
CP002585127112
| -22.7
|
O=C(c1[nH]ccc1C1CC1)N1CCN(C(=O)C2CCCCC2)CC1
|
Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3ocnc3c2)C1
|
CP003306433200
| -22.22
|
O=C(N[C@H]1C[C@H](NC(=O)c2ccc3ocnc3c2)C1)c1cc[nH]c1
|
CC(=C(F)C(=O)N[C@H](C)C1CN(C(=O)C2CC2(Cl)Cl)C1)C1CC1
|
CP003507848512
| -20
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
COCCC1(C(=O)N2CC([C@H](C)NC(=O)C=CC3CC3)C2)CC1
|
CP003508826431
| -18.89
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CCC1CC1C(=O)N1CC(O)(C(C)NC(=O)C=C(C)C2CC2)C1
|
CP003510213527
| -17.86
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC1(C)CC1C(=O)N1CC(CNC(=O)C=CC2CC2)(C(N)=O)C1
|
CP003513999583
| -17.74
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CCOC1C(C)C1C(=O)N1CC(CNC(=O)C(C)=CC2CC2)(C(N)=O)C1
|
CP002567174641
| -17.64
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC(=O)OC1(C(=O)N2CC(CNC(=O)C(F)=C(C)C3CC3)C2)CC1
|
CP003425063951
| -17.58
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC(=CC(=O)N(C)CC1CN(C(=O)C2CC2C)C1)C1CC1
|
CP001306625336
| -17.41
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C=C(C)C2CC2)(OC)C1
|
CP003513349608
| -16.97
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CCOC1CC1C(=O)N1CC(CNC(=O)C=CC2CC2)(C(N)=O)C1
|
CP003332940157
| -16.33
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC(=CC(=O)NCC1CN(C(=O)C2(C)CC2)C1)C1CC1
|
CP001496635963
| -15.93
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC(=CC1CC1)C(=O)NCC1(C(N)=O)CN(C(=O)C2CC2(F)F)C1
|
CP003333027105
| -15.92
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
COC1(CNC(=O)C=CC2CC2)CN(C(=O)C2(CCN(C)C)CC2)C1
|
CP003127667913
| -15.47
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC(NC(=O)C=CC1CC1)C1CN(C(=O)C2(S(C)(=O)=O)CC2)C1
|
CP003495604929
| -15.42
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CC(=CC(=O)NCC1(C(N)=O)CN(C(=O)C2(NC(N)=O)CC2)C1)C1CC1
|
CP002566422431
| -15.01
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
CCC1(C(=O)N2CC(CNC(=O)C=C(C)C3CC3)(C(N)=O)C2)CC1
|
CP003332854047
| -14.25
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
NC(=O)NC1(C(=O)N2CC(CNC(=O)C=CC3CC3)C2)CC1
|
CP003491288726
| -13.95
|
O=C(C=CC1CC1)NCC1CN(C(=O)C2CC2)C1
|
Cc1nnc(NCC2CN(C(=O)Cc3nn(C)c4ccccc34)CC23CCC3)o1
|
CP000282186781
| -33.06
|
O=C(Cc1n[nH]c2ccccc12)N1CC(CNc2nnco2)C2(CCC2)C1
|
Cc1nc(C(=O)N2CCC(N(C)C(=O)c3ccc4cccnc4n3)CC2)c[nH]1
|
CP000981418154
| -27.65
|
O=C(NC1CCN(C(=O)c2c[nH]cn2)CC1)c1ccc2cccnc2n1
|
Cn1nnc(CN2CCC(NC(=O)C3CC=CCC3)CC(C)(C)C2)n1
|
CP002474101449
| null |
O=C(NC1CCCN(Cc2nn[nH]n2)CC1)C1CC=CCC1
|
CC1=C(C)CC(C(=O)NC2CC3CN(C(=O)c4cc(C#N)[nH]c4C)CC32)CC1
|
CP000932079363
| -28.12
|
O=C(NC1CC2CN(C(=O)c3cc[nH]c3)CC21)C1CC=CCC1
|
COc1ccc(CN2CC(C(=O)N(C)Cc3nc(C)c[nH]3)CC2=O)cc1
|
CP001050017713
| -23.91
|
O=C(NCc1ncc[nH]1)C1CC(=O)N(Cc2ccccc2)C1
|
CN(Cc1nccn1C(F)F)C(=O)C1CC(=O)N(Cc2c(F)cccc2F)C1
|
CP000392051971
| -22.61
|
O=C(NCc1ncc[nH]1)C1CC(=O)N(Cc2ccccc2)C1
|
Cc1nc(CNC(=O)C(=O)N2CCC3(CC=CCO3)C2)no1
|
CP002186139244
| -24
|
O=C(NCc1ncon1)C(=O)N1CCC2(CC=CCO2)C1
|
CCC(CC(=O)N[C@H]1CCCN(C(=O)C(C)(C)C2(O)CCOC2)C1)C1CC1
|
CP002125056304
| null |
O=C(CCC1CC1)N[C@H]1CCCN(C(=O)CC2CCOC2)C1
|
Cc1nnsc1C(=O)NC(C)CCNC(=O)C=C(C1CC1)C1CC1
|
CP003461444548
| -23.85
|
O=C(C=C(C1CC1)C1CC1)NCCCNC(=O)c1cnns1
|
CC1=NOC(=O)C1CC(=O)NC[C@H]1CCN(C(=O)C2=C(Cl)CC2)C1
|
CP001900804737
| -16.2
|
O=C(CC1C=NOC1=O)NC[C@H]1CCN(C(=O)C2=CCC2)C1
|
CCN1CC(C(=O)NC[C@H](C)NC(=O)CCn2ccnn2)CCC1=O
|
CP003278609175
| -18.12
|
O=C(CCn1ccnn1)NCCNC(=O)C1CCC(=O)NC1
|
CC(C)CC(CNC(=O)CCn1ccnn1)NC(=O)C1CNC(=O)CC1(C)C
|
CP000681929701
| -15.61
|
O=C(CCn1ccnn1)NCCNC(=O)C1CCC(=O)NC1
|
CC1CC(=O)NCC1C(=O)NCCN(C)C(=O)CCn1ccnn1
|
CP003467286354
| -14.98
|
O=C(CCn1ccnn1)NCCNC(=O)C1CCC(=O)NC1
|
Cc1nc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cccc4cn[nH]c34)C2)c[nH]1
|
CP002362146120
| -23
|
O=C(NC[C@H]1C[C@@H](NC(=O)c2cccc3cn[nH]c23)C1)c1c[nH]cn1
|
CC(NC(=O)c1cnsc1)C1CN(C(=O)c2cnco2)CCO1
|
CP003496218459
| -19.98
|
O=C(NCC1CN(C(=O)c2cnco2)CCO1)c1cnsc1
|
CCn1ccc(C(=O)NC2C(C)CCN(C(=O)C(C)n3ccnc3)C2C)cc1=O
|
CP000119948411
| null |
O=C(NC1CCCN(C(=O)Cn2ccnc2)C1)c1cc[nH]c(=O)c1
|
CC(CNC(=O)C12CC=CCN1CCC2)N(C)C(=O)c1cccc2nonc12
|
CP001037455380
| -19.97
|
O=C(NCCNC(=O)C12CC=CCN1CCC2)c1cccc2nonc12
|
CC(CNC(=O)c1cccc2nonc12)N(C)C(=O)C12CC=CCN1CCC2
|
CP001038629052
| null |
O=C(NCCNC(=O)C12CC=CCN1CCC2)c1cccc2nonc12
|
O=C(Cc1cnco1)NC1CCC2CCN(C(=O)c3cc4n(n3)CCO4)C1C2
|
CP000944382435
| null |
O=C(Cc1cnco1)NC1CCC2CCN(C(=O)c3cc4n(n3)CCO4)C1C2
|
Cc1n[nH]c(CC(=O)NC2CN(C(=O)C(C)c3c(C)noc3C)CCC2C)n1
|
CP000896028635
| -9.1
|
O=C(Cc1ncn[nH]1)NC1CCCN(C(=O)Cc2cnoc2)C1
|
Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C23CC4CC(C(=O)N2)C3C4)n2ncnc2n1
|
CP000334979502
| -21.76
|
O=C1NC2(C(=O)N3C[C@@H]4C[C@H]3CN4c3ccnc4ncnn34)CC3CC1C2C3
|
CN1CC(C(=O)N2CCC3(CC(NC(=O)CC4CCCC4)C3)C2)CCC1=O
|
CP001858923322
| -20.84
|
O=C1CCC(C(=O)N2CCC3(CC(NC(=O)CC4CCCC4)C3)C2)CN1
|
O=C(Cn1nnnc1-c1ccsc1)NCC12CCCC(CO1)C2
|
CP001534160008
| -20.52
|
O=C(Cn1nnnc1-c1ccsc1)NCC12CCCC(CO1)C2
|
CC1(CC(=O)NC2(CNC(=O)c3nncs3)CCOCC2)CCCC1
|
CP003091881161
| -13.7
|
O=C(CC1CCCC1)NC1(CNC(=O)c2nncs2)CCOCC1
|
Cc1c[nH]c2ncc(C(=O)NC(C)C3CCCCN3C(=O)c3cscn3)cc12
|
CP001020174493
| null |
O=C(NCC1CCCCN1C(=O)c1cscn1)c1cnc2[nH]ccc2c1
|
COc1nccc(C(=O)N2CCCC(C3CN(C(=O)C4(C)C=CCCC4)C3)C2)n1
|
CP000144146797
| -21.11
|
O=C(c1ccncn1)N1CCCC(C2CN(C(=O)C3C=CCCC3)C2)C1
|
CCc1ncc(COC(=O)C2(C)CC2(F)F)s1
|
CP000035570277
| -24.77
|
O=C(OCc1cncs1)C1CC1
|
Cc1nc(C(C)C)sc1C(C)OC(=O)C1CC1F
|
CP000621221226
| -24.29
|
O=C(OCc1cncs1)C1CC1
|
CC(C)(C)OC(=O)NC1(C(=O)OCc2cncs2)CC1
|
CP001497267918
| -21.51
|
O=C(OCc1cncs1)C1CC1
|
CC(C)c1cc(C(=O)NC[C@H]2CCN(C(=O)c3ncnc4[nH]ccc34)C2)nn1C
|
CP000380088791
| -26.39
|
O=C(NC[C@H]1CCN(C(=O)c2ncnc3[nH]ccc23)C1)c1cc[nH]n1
|
O=C(NC1CN(C(=O)c2ccc(C3CCC3)cc2)C1)c1cccc2[nH]ncc12
|
CP001262518792
| -26.84
|
O=C(NC1CN(C(=O)c2ccc(C3CCC3)cc2)C1)c1cccc2[nH]ncc12
|
CC1CC(C(=O)NC2CCN(C(=O)C=Cc3ccc(Cl)s3)CC2)CCO1
|
CP002733209386
| -28.1
|
O=C(NC1CCN(C(=O)C=Cc2cccs2)CC1)C1CCOCC1
|
CC(=Cc1cccs1)C(=O)N1CCC(NC(=O)C2(O)CCOCC2)CC1
|
CP002734416435
| -20.45
|
O=C(NC1CCN(C(=O)C=Cc2cccs2)CC1)C1CCOCC1
|
CC(C(=O)NCC1(C2CCN(c3nnn(C)n3)CC2)CCOCC1)C(C)(C)C
|
CP000428669011
| -22.58
|
C1CC(C2CCN(c3nn[nH]n3)CC2)CCO1
|
CC(OCc1ccc(F)cc1)C(=O)NCC1(C)CCCN(CC2CCC2)C1
|
CP001386972652
| -21.56
|
O=C(COCc1ccccc1)NCC1CCCN(CC2CCC2)C1
|
CC1CC(CN2CCCC(CNC(=O)[C@@H](C)OCc3ccccc3)C2)C1
|
CP001736789247
| -19.8
|
O=C(COCc1ccccc1)NCC1CCCN(CC2CCC2)C1
|
CC(C)C1CCC(C(=O)NC(CNC(=O)C(C)C2CCOC2)C2CC2)C(=O)N1
|
CP000992247177
| null |
O=C(CC1CCOC1)NCC(NC(=O)C1CCCNC1=O)C1CC1
|
COC1CCCCC1C(=O)N1CCN(C(=O)CCCn2ccnc2C)C[C@@H]1C
|
CP001257941324
| -22.39
|
O=C(CCCn1ccnc1)N1CCN(C(=O)C2CCCCC2)CC1
|
Cc1nccn1CCCC(=O)N1CCN(C(=O)C2CCCCC2(C)C)C(C)C1
|
CP000675819101
| -17.63
|
O=C(CCCn1ccnc1)N1CCN(C(=O)C2CCCCC2)CC1
|
C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCN1C(=O)CCCn1ccnc1
|
CP002995144746
| -15.52
|
O=C(CCCn1ccnc1)N1CCN(C(=O)C2CCCCC2)CC1
|
CCc1nonc1C(=O)NCC1(NC(=O)CC2(CO)CCOCC2)CCC1
|
CP002012698164
| -19.72
|
O=C(CC1CCOCC1)NC1(CNC(=O)c2cnon2)CCC1
|
CC(C)Cc1cc(N2CCC(NC(=O)c3ccc4c(n3)OCCO4)CC2)ncn1
|
CP000295618233
| -28.57
|
O=C(NC1CCN(c2ccncn2)CC1)c1ccc2c(n1)OCCO2
|
CCCN(C(=O)c1ccc2c(n1)OCCO2)C1CCN(c2cc(O)ncn2)CC1
|
CP000296946609
| -25.26
|
O=C(NC1CCN(c2ccncn2)CC1)c1ccc2c(n1)OCCO2
|
Cc1nc(O)c(C)c(N2CCC(NC(=O)c3ccc4c(n3)OCCO4)C(C)C2)n1
|
CP000305411338
| -23.22
|
O=C(NC1CCN(c2ccncn2)CC1)c1ccc2c(n1)OCCO2
|
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