p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1cnc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)nc1N(C)C | O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)c1c(F)cccc1Cl | 0.551651 |
Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 | CCSc1nnc(NC(=O)CN2CCn3nc(C)cc3C2)s1 | 0.592865 |
Cc1cc(C)cc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 | C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O | 0.523077 |
Cc1ccc(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)n1C(F)F | COc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1Br | 0.531461 |
Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)n1 | Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1cc2n(n1)CCOC2 | 0.763052 |
C[C@@H](Nc1cc(N2CCN(C)CC2)nc(N)n1)c1ccccc1-n1cccn1 | O=S(=O)(c1ccc(C(F)(F)F)nc1)N(Cc1ccco1)C1CCCC1 | 0.578556 |
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(C)c(Cl)c1 | Cn1c([C@H]2CCCN(C(=O)c3cccc(C#CC(C)(C)O)c3)C2)nc2ccccc21 | 0.597895 |
COC[C@@]1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CNS(C)(=O)=O | 0.591966 |
COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C)cc1 | O=C(Oc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccco1 | 0.530286 |
Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@@H]1CCCN(CC(N)=O)C1 | CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O | 0.531983 |
Cc1cccc(-c2cncc(C(=O)N3C[C@H](C)C(=O)N(C)c4ccccc43)c2)c1 | CC1(C)CCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 | 0.511983 |
O=C(Cn1cnc(-c2ccccc2)cc1=O)NCCc1c[nH]c2ccccc12 | CN1CCN(c2nc(-c3ccsc3)ccc2C(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 | 0.609808 |
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CCn1cccn1 | COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 | 0.647059 |
O=C1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CCN1 | COc1cc(C(=O)NC(C)(C)c2ccccc2OC)sn1 | 0.524892 |
CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 | CCN(CC)C(=O)[C@H]1CCCN(C(=S)Oc2ccc(C(=O)Nc3ccc4nccnc4c3)cc2)C1 | 0.559829 |
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc2ccccc12 | O=C(CSc1ncnc2nc(N3CCOCC3)sc12)Nc1ccccc1Cl | 0.704771 |
CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 | CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(O)cc1 | 0.606181 |
COc1ccc2cc(CN3CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C3)c(O)nc2c1 | O=C(Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cn1)NC1CCCC1 | 0.51036 |
Cc1nc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)ccc1C#N | CN1C(=O)S[C@@H](CC(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)C1=O | 0.507726 |
O=C(C[C@@H]1OCCc2ccsc21)NS(=O)(=O)Cc1ccc(Cl)nc1 | CCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)O | 0.566161 |
Cn1nc(C(=O)NCCCn2ccc3ccccc32)c2c1CCC(=O)C2 | Cc1nc(C2(NC(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)CCC2)no1 | 0.686354 |
c1cncc(/N=c2/scc(-c3cccs3)n2CCCn2ccnc2)c1 | COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3c(C)nn(C)c3n2)cc1 | 0.68246 |
CCOc1cccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)c1 | CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(Br)cc1 | 0.609654 |
COc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C)noc2C)cc1 | COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 | 0.58587 |
O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCCC[C@@H]1CCn1cccn1 | CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 | 0.531765 |
CCCCCCCCO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O | COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 | 0.524659 |
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O | O=C(OCCCCN1C(=O)c2ccccc2C1=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 | 0.731658 |
COc1ccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)cc1OC | Cc1c([C@H](C)NC(=O)c2ccc[nH]2)cnn1-c1cccc2ccccc12 | 0.504929 |
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cncc(Cc2cccc(F)c2)c1 | CCOc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 | 0.535329 |
CN(C)CC[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)nn1C | Cn1cc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c(=O)n(C)c1=O | 0.536741 |
CCOc1ccccc1N(CC(=O)N1CCc2ccccc21)S(C)(=O)=O | CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 | 0.676319 |
CCOC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F)c1ccccc1Cl | COc1cccc([C@H](NC(=O)Nc2cc(C)on2)c2nccn2C)c1 | 0.505028 |
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc3ccccc23)N1 | CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 | 0.501053 |
Cc1cc(=O)n2nc(N[C@H](C)CCc3ccco3)sc2n1 | Cc1ccc(NCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 | 0.573449 |
C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(F)c1 | O=C1[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccc(Cl)cc1 | 0.594623 |
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2O)C(=O)NC1=S | CC(C)Cc1ccc([C@H](C)NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 | 0.696663 |
COc1cccc(C(=O)N2CCN(C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 | 0.568797 |
O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 | COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1N1C(=O)CCC1=O | 0.59447 |
CCc1cc(N2CCN(c3cnccn3)CC2)n2nc(C)c(C)c2n1 | Cc1cccc(C(=O)NC[C@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)c1 | 0.627101 |
Cc1nn(C)cc1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 | O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2cccs2)n[nH]1 | 0.578174 |
COc1nn(C)cc1C(=O)N1CCC(C(=O)NCc2cccs2)CC1 | CCOc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O | 0.511602 |
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2nc3ccccc3s2)CC1 | COc1ccc2nc(NC(=O)NC3CCN(C(C)=O)CC3)sc2c1 | 0.632075 |
Cc1cc(C)c2c(c1)[C@H](NC(=O)CNC(=O)CC(C)(C)C)CCO2 | C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 | 0.541379 |
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2CN2C(=O)CNC2=O)c1 | COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)NCc1ccc(F)cc1)CC2 | 0.575916 |
COc1ccc(COC[C@@H](O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 | C[C@@H]1Cc2cc(-c3csc(NCC(F)(F)F)n3)ccc2N1S(C)(=O)=O | 0.72012 |
CCC[C@H](NC(=O)c1oc(CC)nc1C)c1nccn1C | CCCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 | 0.635714 |
CO[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C2CC=CC2)CC1(C)C | CS(=O)(=O)C[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 | 0.500615 |
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COCCN1C1CCCC1 | CC1CCC2(CC1)NC(=O)N(C[C@H](O)COc1ccc(F)cc1)C2=O | 0.515152 |
CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(c3ncccn3)C[C@H]12 | CCOc1cc(C)c(C)cc1S(=O)(=O)NCCCOC | 0.526104 |
COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(OC)c1 | Cn1c(O)nc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)cc1=O | 0.546512 |
CCC(CC)NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 | CCn1ncc(Cl)c1C(=O)N1CCC[C@H]1Cc1ccnn1C | 0.674044 |
Cc1cc2nc(C3CCN(S(=O)(=O)c4ccccc4)CC3)ccn2n1 | COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1F | 0.527655 |
Cc1cccc2nc(CNC(=O)[C@H](C)NC(=O)c3cccs3)n(C)c12 | Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)c1 | 0.517202 |
CC(C)[C@@H](C)N(C)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 | Cc1ccc(-c2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)on2)cc1 | 0.507198 |
COc1ccc2cc(/C=C/C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc2c1 | O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nc(-c3ccco3)no2)CC1 | 0.611321 |
O=C(Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 | O=C(c1cc2ccccc2oc1=O)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 | 0.598291 |
O=C(c1ccco1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 | CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 | 0.602896 |
Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)CC2)s1 | COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 | 0.665929 |
CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1F | CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CC2)c1 | 0.579509 |
CCOc1cc2c(cc1NC(=O)CC(C)C)O[C@@H](C)C2 | CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc2nccnc12 | 0.542477 |
CN(C)c1noc([C@@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)C2)n1 | CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 | 0.682556 |
COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)n2c1nc1ccccc12 | COc1ccccc1C(=O)Nc1c(C(=O)N(C)C)nn(C)c1C | 0.635066 |
CC(C)(C)n1nc2c(c1NC(=O)CC1CCCCC1)C[S@@](=O)C2 | CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 | 0.57295 |
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 | CCCCN1C(=S)S[C@@H]2CS(=O)(=O)C[C@H]21 | 0.554167 |
COC(=O)c1cc(/N=C\c2c(C)n(C)c3ccccc23)ccc1Cl | COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc2c1CCN(C(=O)CC1=CCCCC1)C2 | 0.670363 |
C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 | COc1cccc(CN(C)C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1OC | 0.503008 |
O=C(C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)NC1CC1 | COCCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 | 0.624742 |
COC[C@H]1CN(c2ncnc3scc(C)c23)CCO1 | COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl | 0.519509 |
COc1ccc(-c2nnc3sc(COc4cccc5ccccc45)nn23)cc1OC | CC(C)c1cc(N[C@H](c2cccnc2)C(C)C)n2nccc2n1 | 0.606882 |
CC(C)[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 | Cc1ccc(OCCNC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)c(C)c1 | 0.548998 |
CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C)c(C)c3)sc2n1 | O=C1/C(=C/c2cccs2)SC(=S)N1Nc1ccccc1 | 0.624211 |
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C(=O)C[C@H]3c3ccccc32)cc1 | CCN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O | 0.659184 |
COc1ccc([C@@H]2CN(C(=O)Cc3ccccc3OC)C[C@H]2C(=O)O)cc1 | O=C1C[C@H](C(=O)N2CCOc3cccc(F)c32)CN1c1ccccc1Br | 0.538293 |
C[C@H]1C[C@H](c2cccnc2)N(c2nc(-c3ccncc3)nc3ccccc23)C1 | Cc1cccc2nc(CN(C)CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[nH]c12 | 0.536876 |
CC(=O)N[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1c1ccc(C)o1 | Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)c1nccs1 | 0.525926 |
O=C(NCc1cc(Br)cnc1O)[C@@H]1Cc2ccc(Cl)cc21 | O=C(O)C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1c1cnn[nH]1 | 0.564356 |
CS(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 | N=C1Nc2nc3ccccc3n2[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)N1 | 0.5659 |
CCOc1cccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CC[C@@H]3O2)c1 | COCCCN(CCOC)C(=O)c1cccc2c1CCCN2 | 0.522676 |
CCOc1ccc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1 | COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 | 0.516472 |
O=C(Nc1ccc(Cl)cc1)Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1 | CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 | 0.503226 |
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N(CC(=O)OC)C2=S)cc1 | CN1C(=O)C[C@@H](CNC(=O)C(C2CC2)C2CC2)[C@@H]1c1nccn1C | 0.584826 |
CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O | O=C([C@H]1CCOC1)N1CCCN(CC(=O)N2CCc3ccccc32)CC1 | 0.603323 |
Cc1csc2nc(CN(C)Cc3ccc(OC(F)F)cc3)cc(=O)n12 | COc1ccc(CC(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 | 0.504556 |
O=C(CN1C(=O)COc2ccccc21)NCCc1cccc(Cl)c1 | COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccco3)CC1)CC2=O | 0.561521 |
CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 | Cn1ccc2c1CN(Cc1ccco1)Cc1cn(-c3ccccc3)nc1-2 | 0.568182 |
CN1CCCCCCN(C(=O)CN2CCOCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O | CC1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)CC1 | 0.622564 |
COc1ccc2c(n1)N(C(=O)COc1c(C)occc1=O)CC2 | COC(=O)CCN1CCC[C@H]1c1cccc2c1OCCO2 | 0.552432 |
O=C(NCc1ccc(F)cc1)c1cc(C2CCN(S(=O)(=O)c3ccccc3)CC2)no1 | CN(C(=O)c1csc2ccccc12)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 | 0.534699 |
CC1(C)Cc2ccccc2[C@@H]2OCC3(CCN(C(=O)c4cccc(OCC(=O)O)c4)CC3)C[C@H]21 | O=C(NO[C@@H]1CCOC1)N1CCC[C@H]1c1cc(F)ccc1F | 0.550328 |
C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)C1 | COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)c1 | 0.614018 |
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 | CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCOC)cc1OC | 0.867275 |
COc1ccc2cc(-c3cccc4c3CCO4)ccc2n1 | O=C1[C@@H]2[C@@H](C(=O)N1c1ccn(Cc3c(Cl)cccc3Cl)n1)[C@H]1CC[C@H]2O1 | 0.513742 |
CN1CCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)CC1 | Cc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 | 0.563934 |
CC[C@@H](C)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 | CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCN(c4ccc(Cl)nn4)CC3)cc2C1 | 0.518319 |
CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 | O=C(c1n[nH]c2c1CN([C@H]1CCOC1)CC2)N1CCCC1 | 0.543779 |
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 | O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCCCC1 | 0.568516 |
Cc1cccc(O[C@@H](C)C(=O)N(C)c2nc3ccccc3o2)c1 | C=CCOc1c(Br)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC | 0.559378 |
O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1Cn1ccnn1 | COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 | 0.588418 |
Cc1c(OCC(=O)NCc2ccncc2)ccc2c(-c3ccccc3)cc(=O)oc12 | CCN1Cc2nc(OC)c(CNc3nc(C(C)C)nc4c3cnn4C)cc2C1=O | 0.659553 |
Cc1ccc(OCc2nnc(SCc3nc(-c4ccco4)no3)o2)cc1 | O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 | 0.53235 |