clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -87.36 10k | scaffold stringlengths 0 100 |
|---|---|---|---|
COC(C(=O)NCCC(C)NC(=O)c1cnnc(Cl)c1)C1CCC1 | CP003461184182 | -27.55 | O=C(CC1CCC1)NCCCNC(=O)c1ccnnc1 |
CCN(CCCNC(=O)CC1CC(F)C1)C(=O)c1ccnnc1Cl | CP003445604245 | -24.55 | O=C(CC1CCC1)NCCCNC(=O)c1ccnnc1 |
Cc1nc(C(=O)NCC2CN(C(=O)C3CCOC3)CCCO2)c(C)o1 | CP002424682689 | -37.29 | O=C(NCC1CN(C(=O)C2CCOC2)CCCO1)c1cocn1 |
Cc1noc(COCC(=O)N2CCC3(C2)CN(C(=O)c2cncc(N)n2)C3)n1 | CP001002327615 | -33.7 | O=C(COCc1ncno1)N1CCC2(C1)CN(C(=O)c1cnccn1)C2 |
CCc1oncc1C(=O)NC[C@H](C)NC(=O)c1cn(CC2(C)COC2)nn1 | CP002190447708 | -29.86 | O=C(NCCNC(=O)c1cn(CC2COC2)nn1)c1cnoc1 |
COC(C)CCC(=O)N1CCC2(C1)CN(c1ccnc(-c3ccccc3)n1)C2 | CP000449816232 | -36.89 | c1ccc(-c2nccc(N3CC4(CCNC4)C3)n2)cc1 |
C=CC(O)C(=O)N1CC(CO)C2(C1)CN(c1ccnc(-c3ccccc3)n1)C2 | CP000451950730 | -36.52 | c1ccc(-c2nccc(N3CC4(CCNC4)C3)n2)cc1 |
COC1(C(=O)NCC2(CNc3nc(O)c4c(ncn4C)n3)CC2)CCCOC1 | CP000445978847 | -43.31 | O=C(NCC1(CNc2ncc3[nH]cnc3n2)CC1)C1CCCOC1 |
CCc1nnsc1C(=O)N1CC2(CC2)CC1CNC(=O)C1CS(=O)(=O)C1 | CP002508180721 | -31.09 | O=C(NCC1CC2(CC2)CN1C(=O)c1cnns1)C1CS(=O)(=O)C1 |
Cc1ncc(CC(=O)NCC(NC(=O)C2(O)CCC2)C2CCCCC2)s1 | CP002822124499 | -33.2 | O=C(Cc1cncs1)NCC(NC(=O)C1CCC1)C1CCCCC1 |
O=C(CC(=O)N1CC2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)C2)NC1CC1 | CP000122217506 | -23.99 | O=C(CC(=O)N1CC2(C1)CN(C(=O)C1(c3ccccc3)CCCC1)C2)NC1CC1 |
Cc1conc1C(=O)N1CCN(C(=O)c2csnn2)C(C)C1 | CP003193777483 | -42.24 | O=C(c1csnn1)N1CCN(C(=O)c2ccon2)CC1 |
CC(C)c1cc(C(=O)N2CCN(C(=O)c3csnn3)C(CCO)C2)no1 | CP002499599331 | -40.78 | O=C(c1csnn1)N1CCN(C(=O)c2ccon2)CC1 |
O=C(c1cc(Cl)on1)N1CCN(C(=O)c2csnn2)C(CCO)C1 | CP003340425737 | -39.87 | O=C(c1csnn1)N1CCN(C(=O)c2ccon2)CC1 |
CC(CNC(=O)c1ccsc1)NC(=O)C1CCCn2ccnc21 | CP003366294707 | -33.28 | O=C(NCCNC(=O)C1CCCn2ccnc21)c1ccsc1 |
CCCN(CCNC(=O)C1CCCn2ccnc21)C(=O)c1ccsc1OC | CP002079665269 | -31.09 | O=C(NCCNC(=O)C1CCCn2ccnc21)c1ccsc1 |
Cc1sccc1C(=O)NC(CNC(=O)C1CCCn2ccnc21)C(C)C | CP002827739632 | -27.64 | O=C(NCCNC(=O)C1CCCn2ccnc21)c1ccsc1 |
CN1CCC(n2cc(CNC(=O)c3ccc(N(C)C)cn3)nn2)C1=O | CP000394077712 | -44.45 | O=C(NCc1cn(C2CCNC2=O)nn1)c1ccccn1 |
CC(C)(C)C1CC(n2cc(CNC(=O)c3ncccc3F)nn2)C(=O)N1 | CP001269914960 | 10,000 | O=C(NCc1cn(C2CCNC2=O)nn1)c1ccccn1 |
CCOC(=O)C1(NC(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CC1(C)C | CP000059500971 | -42.87 | O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC1CC1 |
COC[C@H]1C[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1 | CP001160892231 | -41.3 | O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC1CC1 |
Cn1ccc(=O)c(C(=O)N2CC3(CN(C(=O)c4ccc5[nH]cnc5c4F)C3)C2)c1 | CP000122829543 | -40.31 | O=C(c1ccc2[nH]cnc2c1)N1CC2(C1)CN(C(=O)c1c[nH]ccc1=O)C2 |
O=C(NCC1CN(C(=O)CN2CCOC2=O)CCO1)c1ncnc2nc[nH]c12 | CP001034840689 | -37.47 | O=C(NCC1CN(C(=O)CN2CCOC2=O)CCO1)c1ncnc2nc[nH]c12 |
CN1CC2CN(C(=O)CCc3nncn3C)CCN2C1=O | CP002295415663 | -40.83 | O=C(CCc1nnc[nH]1)N1CCN2C(=O)NCC2C1 |
CCn1ncc2c(NCC3CC(NC(=O)CCc4cnn(C)c4)C3)ncnc21 | CP000414052892 | -33.34 | O=C(CCc1cn[nH]c1)NC1CC(CNc2ncnc3[nH]ncc23)C1 |
O=C(NCC1CCCN1C(=O)CNc1nccs1)C1=Cc2ccccc2C1 | CP002076558708 | -33.91 | O=C(NCC1CCCN1C(=O)CNc1nccs1)C1=Cc2ccccc2C1 |
CCC1CCC(C(=O)NCCCN(CC)Cc2c(C)noc2C)O1 | CP002936558250 | -29.09 | O=C(NCCCNCc1cnoc1)C1CCCO1 |
CC1(C(=O)NCC2(NC(=O)c3cc(C4(C)CC4)n[nH]3)CCC2)CC(F)(F)C1 | CP002010694709 | -27.01 | O=C(NC1(CNC(=O)C2CCC2)CCC1)c1cc(C2CC2)n[nH]1 |
CC1(C(=O)NCC2CCN(CC(=O)N3CCCC3)C2)CCC1 | CP003476359641 | -31.54 | O=C(NCC1CCN(CC(=O)N2CCCC2)C1)C1CCC1 |
CN(C)c1ccc(C(=O)NC2CCCN(C3CCc4ccc(F)cc43)C2)cn1 | CP000497485711 | -35.23 | O=C(NC1CCCN(C2CCc3ccccc32)C1)c1cccnc1 |
Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2sc(O)nc2O)no1 | CP003017439376 | -49.47 | O=C(NC[C@@H]1CCCN1C(=O)Cc1cncs1)c1ccon1 |
Cn1cc(C(=O)NC2(CNC(=O)C(C)(O)C3CCC3)CC2)n(C)c1=O | CP003287898021 | -36.94 | O=C(CC1CCC1)NCC1(NC(=O)c2c[nH]c(=O)[nH]2)CC1 |
COC(C(=O)NCC1(NC(=O)c2c[nH]c(=O)n2C)CC1)C1CCC1 | CP003398510755 | -28.28 | O=C(CC1CCC1)NCC1(NC(=O)c2c[nH]c(=O)[nH]2)CC1 |
NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)C3CCC(C4CC4)CC3)C2)o1 | CP000647759391 | -29.71 | O=C(N[C@H]1C[C@@H](CNC(=O)C2CCC(C3CC3)CC2)C1)c1ccco1 |
COC(=O)c1ccnc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)c1 | CP000369808110 | -41.08 | O=C(NCC1CN(C(=O)c2ccccn2)C1)[C@@H]1C[C@H]1c1ccccc1 |
CN(C)c1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)nc1 | CP001104757034 | -39.49 | O=C(NCC1CN(C(=O)c2ccccn2)C1)[C@@H]1C[C@H]1c1ccccc1 |
CN(CC1CN(C(=O)c2cc(N)ccn2)C1)C(=O)[C@@H]1C[C@H]1c1ccccc1 | CP001781004722 | -33.85 | O=C(NCC1CN(C(=O)c2ccccn2)C1)[C@@H]1C[C@H]1c1ccccc1 |
CC(C(=O)N1CCC[C@H](NC(=O)C2(F)CCOC2)C1)c1ccsc1 | CP003423341007 | -38.21 | O=C(N[C@H]1CCCN(C(=O)Cc2ccsc2)C1)C1CCOC1 |
CN(CCCNC(=O)c1cc(C2CC2)n(C)n1)C(=O)Cc1nnc(N)s1 | CP002736848598 | -37 | O=C(Cc1nncs1)NCCCNC(=O)c1cc(C2CC2)[nH]n1 |
CC(C)CC(CNC(=O)c1cc2c(cn1)OCCC2)NC(=O)C1=CCCCCC1 | CP000036912169 | -29.5 | O=C(NCCNC(=O)c1cc2c(cn1)OCCC2)C1=CCCCCC1 |
Cc1ccc(C(=O)N2CCCC2CNC(=O)C=Cc2ccn(C)c2)cn1 | CP002715511118 | -47.57 | O=C(C=Cc1cc[nH]c1)NCC1CCCN1C(=O)c1cccnc1 |
CC(C)Oc1ccc(C(=O)N2CCCC2CNC(=O)C=Cc2ccn(C)c2)cn1 | CP000253486990 | -29.81 | O=C(C=Cc1cc[nH]c1)NCC1CCCN1C(=O)c1cccnc1 |
CCC(=O)N1CC(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 | CP001051604322 | -36.42 | O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1CNC1 |
O=C(COCc1nc(C2CC2)no1)N[C@H]1[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]21 | CP000298806098 | -30.29 | O=C(COCc1nc(C2CC2)no1)N[C@H]1[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]21 |
Cc1ccc2nc(N3CC4CC3CN(C(=O)CCc3ccccc3)C4)sc2n1 | CP000435777879 | -33.23 | O=C(CCc1ccccc1)N1CC2CC(C1)N(c1nc3cccnc3s1)C2 |
CCC1(C)CC1C(=O)N(C)C1CN(C(=O)c2ccc(Cn3ccnn3)o2)C1 | CP002167189242 | -38.28 | O=C(NC1CN(C(=O)c2ccc(Cn3ccnn3)o2)C1)C1CC1 |
O=C(NCC(F)=C1CN(C(=O)c2n[nH]c3c2CCC3)C1)c1sccc1Cl | CP002654580796 | -35.19 | O=C(NCC=C1CN(C(=O)c2n[nH]c3c2CCC3)C1)c1cccs1 |
Cc1ncc2ccc(C(=O)NCCCCC(C)NC(=O)C=CC3CCOC3)cn12 | CP000031701935 | -31.89 | O=C(C=CC1CCOC1)NCCCCCNC(=O)c1ccc2cncn2c1 |
Cn1cc(CCC(=O)N2CCC[C@@]2(C)CNC(=O)c2cccn3nccc23)nn1 | CP000056122675 | -35.86 | O=C(NCC1CCCN1C(=O)CCc1c[nH]nn1)c1cccn2nccc12 |
Cn1cc(CCC(=O)NCC2CCN2C(=O)c2nnc(N)s2)cn1 | CP003397776971 | -35.8 | O=C(CCc1cn[nH]c1)NCC1CCN1C(=O)c1nncs1 |
COc1cnc(C(=O)N2CC(N(C)C(=O)Cc3coc4ccccc34)C2)nc1 | CP000837958339 | -34.23 | O=C(Cc1coc2ccccc12)NC1CN(C(=O)c2ncccn2)C1 |
CC(C(=O)N(C)C1CCCCC1)N1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](C)C1 | CP001586121823 | -31.3 | O=C(CN1CCN(C(=O)C2CS(=O)(=O)C2)CC1)NC1CCCCC1 |
CCCCC(CNC(=O)C1=CC2(CCOC2)C1)NC(=O)C1Cc2ccncc2C1 | CP000256655705 | -34.25 | O=C(NCCNC(=O)C1Cc2ccncc2C1)C1=CC2(CCOC2)C1 |
CC(=CC(=O)NC1(CNc2ncncc2Cl)COC1)c1ccco1 | CP002927912497 | -33.73 | O=C(C=Cc1ccco1)NC1(CNc2ccncn2)COC1 |
CCc1ccc(C=CC(=O)NC2(CNc3nc(C)ncc3F)COC2)o1 | CP002218683623 | -31.36 | O=C(C=Cc1ccco1)NC1(CNc2ccncn2)COC1 |
Cc1nc(NCC2(NC(=O)C=Cc3ccco3)COC2)cc(SC(C)C)n1 | CP001453144745 | -30.63 | O=C(C=Cc1ccco1)NC1(CNc2ccncn2)COC1 |
Cc1cc2cc(CNC(=O)c3cc(C4CC4)[nH]c(=O)c3)ccc2n1C | CP001230355267 | -41.13 | O=C(NCc1ccc2[nH]ccc2c1)c1cc(C2CC2)[nH]c(=O)c1 |
O=C(CC1COC(=O)C1)NC1CCC(CNC(=O)C2CC3(CSC3)C2)C1 | CP002535723242 | -33.04 | O=C(CC1COC(=O)C1)NC1CCC(CNC(=O)C2CC3(CSC3)C2)C1 |
CN(CC(=O)N(CCNC(=O)c1scnc1Cl)C1CC1)C(=O)C1CC1 | CP003212190768 | -24.32 | O=C(NCCN(C(=O)CNC(=O)C1CC1)C1CC1)c1cncs1 |
Cc1cn(C)nc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)nc1 | CP001404983919 | 10,000 | O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cccnc1)c1cc[nH]n1 |
CC1CC2(CCN(C(=O)C3=NOCC3)CC2)CN1C(=O)CCn1cccn1 | CP001610965048 | -37.61 | O=C(CCn1cccn1)N1CCC2(CCN(C(=O)C3=NOCC3)CC2)C1 |
CC(CCNC(=O)CNC(=O)c1ccccc1)NC(=O)C1CCCC(=O)CC1 | CP001057182612 | -33.24 | O=C1CCCC(C(=O)NCCCNC(=O)CNC(=O)c2ccccc2)CC1 |
Cc1ccc(C(=O)N2CC(O)(CCNC(=O)c3ccn(C(C)(C)C)n3)C2)nn1 | CP000997068505 | -42.29 | O=C(NCCC1CN(C(=O)c2cccnn2)C1)c1cc[nH]n1 |
C[C@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1NC(=O)c1cc(C2CC2)on1 | CP000825010977 | -36.14 | O=C(N[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1)c1cc(C2CC2)on1 |
CCN1C(=O)CCC1C(=O)N1CC[C@H](NC(=O)C(c2ccc(C)cc2)C2CC2)C1 | CP000373001258 | -32.38 | O=C1CCC(C(=O)N2CC[C@H](NC(=O)C(c3ccccc3)C3CC3)C2)N1 |
Cc1cc(C(=O)NC2CCN(C(=O)CNC(=O)N3CCCC3)C(C)C2)ccn1 | CP000868528745 | -30.64 | O=C(NC1CCN(C(=O)CNC(=O)N2CCCC2)CC1)c1ccncc1 |
C[C@H]1CC[C@H](C(=O)N2CCOCC(CNC(=O)c3ccc(C(F)F)o3)C2)CC1 | CP000750227768 | -38.48 | O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1 |
Cc1cc(C(=O)NCC2COCCN(C(=O)C3CCC(C)CC3)C2)oc1C | CP001863009412 | -31.51 | O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1 |
CCc1ccc(C(=O)NCC2COCCN(C(=O)C3CCCCC3(C)C)C2)o1 | CP000750621545 | -28.76 | O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1 |
CCC1(C(=O)N2CCOCC(CNC(=O)c3cc(C)co3)C2)CCC(O)CC1 | CP000750476388 | 10,000 | O=C(NCC1COCCN(C(=O)C2CCCCC2)C1)c1ccco1 |
Cc1noc(CCCN2CCCC(NC(=O)c3ccnc4[nH]c(C)nc34)CC2)n1 | CP000197893497 | -26.13 | O=C(NC1CCCN(CCCc2ncno2)CC1)c1ccnc2[nH]cnc12 |
CC(CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C)NC(=O)C1CCC(=O)NC1 | CP001057437478 | -34.01 | O=C1CCC(C(=O)NCCCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CN1 |
CNc1ccc(C(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccoc3)CC2)cn1 | CP001185287418 | -37.44 | O=C(c1cccnc1)N1CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1 |
C[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)c1c[nH]nc1-c1ccoc1 | CP002437048773 | -34.99 | O=C(c1cccnc1)N1CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1 |
COC(=O)N1CCN(c2ccc(NC(=O)C3CC4CNCC43)cn2)CC1 | CP000881315032 | -39.57 | O=C(Nc1ccc(N2CCNCC2)nc1)C1CC2CNCC21 |
CCc1c[nH]c(C(=O)NCC2CCCCC2NC(=O)c2cn(CCO)nn2)c1 | CP001210223393 | -25.84 | O=C(NC1CCCCC1CNC(=O)c1ccc[nH]1)c1c[nH]nn1 |
CC1CN(C(=O)C(=O)Nc2ccccc2)CC1NC(=O)c1n[nH]c(N)n1 | CP002699986402 | -45.68 | O=C(Nc1ccccc1)C(=O)N1CCC(NC(=O)c2nc[nH]n2)C1 |
Cc1nc(CC(=O)NC[C@H]2CCN(C(=O)Cc3nocc3C)C2)c(C)s1 | CP003005507283 | -33.69 | O=C(Cc1cscn1)NC[C@H]1CCN(C(=O)Cc2ccon2)C1 |
C[C@@H]1C[C@H](C(=O)NCC2CCN(C(=O)C3CC=CC3)C2(C)C)C[C@H](C)O1 | CP002989329523 | -34.03 | O=C(NCC1CCN(C(=O)C2CC=CC2)C1)C1CCOCC1 |
O=C(C1CC=CC1)N1CCC(CNC(=O)C2(C(F)F)CCOCC2)C1 | CP003320338681 | -33.27 | O=C(NCC1CCN(C(=O)C2CC=CC2)C1)C1CCOCC1 |
CCC1CC(C(=O)NCC2(C)CCN(C(=O)C3(COC)CC=CC3)C2)CCO1 | CP000702850070 | -28.28 | O=C(NCC1CCN(C(=O)C2CC=CC2)C1)C1CCOCC1 |
Cc1coc(C(C)C)c1C(=O)N1CC=CC(NC(=O)C2Cc3cccnc3C2)C1 | CP000047293973 | -31.5 | O=C(NC1C=CCN(C(=O)c2ccoc2)C1)C1Cc2cccnc2C1 |
Cn1cc(C=CC(=O)NC[C@H]2CCCN2C(=O)c2ccc(C(N)=O)o2)nn1 | CP001749531493 | -34.69 | O=C(C=Cc1c[nH]nn1)NC[C@H]1CCCN1C(=O)c1ccco1 |
C=C(C)CCC(=O)NC1CC2CCCC(C1)N2C(=O)[C@@H]1CNC(=O)N1 | CP003288987162 | -28.85 | O=C1NC[C@@H](C(=O)N2C3CCCC2CCC3)N1 |
CNC(=O)CCC(=O)NC1CC2CCCC(C1)N2C(=O)[C@@H]1CNC(=O)N1 | CP002710805983 | -28.42 | O=C1NC[C@@H](C(=O)N2C3CCCC2CCC3)N1 |
CC(C)COC(C)C(=O)NC1CC2CCCC(C1)N2C(=O)[C@@H]1CNC(=O)N1 | CP002205407617 | -27.58 | O=C1NC[C@@H](C(=O)N2C3CCCC2CCC3)N1 |
CCC1CN(C(=O)CC(C)C2CCCO2)CCC1NC(=O)C1CC1 | CP003397572475 | -35.72 | O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1 |
CC1(C)C[C@@H]1C(=O)NC1CCN(C(=O)CCC2CCCO2)CC1F | CP003393718386 | -33.95 | O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1 |
CCC1(C)CC1C(=O)NC1CCN(C(=O)CC(C)C2CCCO2)CC1C | CP002822662503 | -32.15 | O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1 |
CC1CCC(CCC(=O)N2CCC(NC(=O)C3(C)CC3(F)F)CC2C)O1 | CP002714475500 | -30.72 | O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1 |
COCCC1(C(=O)NC2CCN(C(=O)CCC3CCCO3)C(C)C2)CC1 | CP002714254848 | -27.34 | O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1 |
CCC1CN(C(=O)CCC2CCC(C)O2)CCC1NC(=O)C1(OC)CC1 | CP002705856265 | -24.23 | O=C(NC1CCN(C(=O)CCC2CCCO2)CC1)C1CC1 |
COCC1(C(=O)NC(C)CC2CN(C(=O)c3cccc(-n4ccnc4)c3)C2)CC1 | CP000124844029 | -34.49 | O=C(NCCC1CN(C(=O)c2cccc(-n3ccnc3)c2)C1)C1CC1 |
Cc1ccc2c(C(=O)NC3CN(C(=O)c4cnn5cc(C)cnc45)C3)c[nH]c2c1 | CP000378778268 | -34.23 | O=C(NC1CN(C(=O)c2cnn3cccnc23)C1)c1c[nH]c2ccccc12 |
Cc1ccc2nc(C(=O)NC(C)C3(O)CN(C(=O)c4ccco4)C3)ccc2c1 | CP000848352955 | -41.64 | O=C(NCC1CN(C(=O)c2ccco2)C1)c1ccc2ccccc2n1 |
Cc1oc(C(=O)N2CC(O)(CNC(=O)c3ccc4ccccc4n3)C2)cc1CO | CP000091164714 | -34.34 | O=C(NCC1CN(C(=O)c2ccco2)C1)c1ccc2ccccc2n1 |
Cc1nc2ccccc2cc1C(=O)N1C[C@@H]2[C@@H](CNc3nnc(C(F)F)o3)[C@@H]2C1 | CP000288065595 | -30.48 | O=C(c1cnc2ccccc2c1)N1C[C@@H]2[C@@H](CNc3nnco3)[C@@H]2C1 |
CCc1ccc(C(=O)NC2CCC(CNC(=O)C(O)c3cnn(C)c3)C2)s1 | CP001626524527 | -33.16 | O=C(Cc1cn[nH]c1)NCC1CCC(NC(=O)c2cccs2)C1 |
CCc1nnc(C(=O)N(C)Cc2ccccc2CNC(=O)c2csc(C)c2)[nH]1 | CP000912586208 | -39.03 | O=C(NCc1ccccc1CNC(=O)c1nnc[nH]1)c1ccsc1 |
CC(NC(=O)CCc1cnn(C)c1)C1CCN(C(=O)c2[nH]ncc2Cl)C1 | CP002681738522 | -38.36 | O=C(CCc1cn[nH]c1)NCC1CCN(C(=O)c2ccn[nH]2)C1 |
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