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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