p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 | C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 | 0.546537 |
CCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(C)cc1 | COC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)cc1 | 0.642127 |
C[C@@]1(C2CC2)CC(=O)N(Cc2ccccc2CS(=O)(=O)c2ccccc2)C1 | COc1ccc(-c2nc(CNC(=O)[C@H]3CCCN(c4ccc(-c5cccs5)nn4)C3)cs2)cc1 | 0.558665 |
Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)n1 | COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cc1 | 0.642051 |
CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCc2ccc(Cl)cc2C1 | Cc1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)ccc1[N+](=O)[O-] | 0.553763 |
Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]32)cc1 | O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1CCc2ccccc21 | 0.70679 |
Cc1ccccc1OC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccccn3)no2)C1 | O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)N1CCCc2ccccc21 | 0.63278 |
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC[C@@H]4C(=O)NC[C@H]43)cc12 | CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2cc(C)nc(C3CC3)n2)C1 | 0.706827 |
NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F | Cc1nc([C@@H]2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)c2sccn12 | 0.691837 |
CCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1 | CC(C)[C@H]1Cc2c(sc3nc(S)sc(=N)c23)CO1 | 0.690909 |
Cc1cc2nc([C@@H](C)NC(=O)c3ccc(C)[nH]c3=O)cc(O)n2n1 | C[C@@H](Cn1cnc2c([nH]c3ccccc32)c1=O)c1ccccc1 | 0.587185 |
Cc1ccccc1CC(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 | CCOC(=O)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 | 0.681352 |
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 | CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OCC(N)=O)c(OCC)c2)cc1 | 0.521368 |
CN(Cc1cnccn1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 | O=S(=O)(c1ccccc1)N1CCN(Cn2cnc3ccccc32)CC1 | 0.53341 |
CCCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccccc2c1=O | COCCn1cc(C(=O)NCc2c(F)cccc2N2CCCC2)ccc1=O | 0.589345 |
O=C(c1ccccc1C(F)(F)F)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1 | CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 | 0.506229 |
CSc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 | O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2)CC1 | 0.518325 |
C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O | Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4C)c(=O)c23)cc1 | 0.667749 |
CC(C)(c1ccccc1)c1nnc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)s1 | CCc1noc(C)c1C(=O)NS(=O)(=O)C[C@H]1CCCCO1 | 0.520811 |
N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2n1 | CCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl | 0.6125 |
O=C(CCc1nc(C2CCCC2)no1)Nc1ccc(C(=O)O)cc1 | C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1F | 0.50582 |
CCOc1ccccc1C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 | Cc1cc(N2CCC[C@@H](NC[C@H](O)c3ccccc3F)C2)n(C)n1 | 0.543823 |
Cc1noc(C)c1CCC(=O)NCc1nnc2ccccn12 | Cc1noc(C(C)C)c1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 | 0.580499 |
FC(F)(F)Cc1cccc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)c1 | C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 | 0.516347 |
CC(=O)[C@@H]1CC(C(=O)Nc2cccc(C3SCCS3)c2)=NN1c1ccccc1 | Cc1nc(C(=O)N2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3CC2CC2)cs1 | 0.628099 |
Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2n(C)c1=O | Cn1ncc2c(=O)[nH]c(CN(Cc3ccccc3)C3CC3)nc21 | 0.551687 |
Cc1c(C(=O)N2CC[C@](CO)(c3ccccc3)C2)sc2nccn12 | CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc[nH]3)c(=O)n12 | 0.783333 |
CCCCn1c(/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)nc2ccccc21 | COc1ccc(-c2cc(C(=O)O)c3c(C(C)C)noc3n2)c(F)c1 | 0.652263 |
CCc1cc(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)n[nH]1 | N=C1C(C(=O)NC2CC2)=C(NC2CCCCC2)S[C@H]1C(=O)Nc1cc(Cl)ccc1Cl | 0.569215 |
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)ccc1C | Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1 | 0.536374 |
COc1ccc(OC)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c1 | N#Cc1ccc(F)c(CN2CCO[C@@H]3CCCC[C@H]32)c1 | 0.501672 |
CCN1C(=O)C[C@H](Sc2ccccc2C(=O)Nc2cnn(C(C)C)c2)C1=O | O=C1CC[C@H](NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)C2(CCC2)N1 | 0.528773 |
COCC(=O)N1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1 | CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(NC(=O)C(C)C)cc2)[C@H]1c1ccc(OC)cc1 | 0.608639 |
CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(-c3ccccc3)no2)c1 | O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@H](c2ccccc2)CC1 | 0.548009 |
Cc1ncnc(N2CCN(C(=O)[C@@H](c3cccnc3)N3CCOCC3)CC2)c1C | CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 | 0.657952 |
CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(OC(C)C)cc2)C1=O | Cc1cc2c(cc1C)[C@@H](NC[C@H]1CC[C@@H](c3nc[nH]n3)O1)CCCO2 | 0.548422 |
CSc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(C)c4)c3=O)n2)cc1 | CC[C@H](Cn1ccnc1)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 | 0.555094 |
NS(=O)(=O)CCC1(C(=O)N[C@@H]2C=CCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)C2)CCC1 | C[C@H]1CCc2sc(C(=O)N(C)Cc3nc(C4CC4)no3)cc2C1 | 0.59728 |
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1 | Cc1cc(O)n2nc(C3CCN(C(=O)CCc4cc(Cl)no4)CC3)cc2n1 | 0.641684 |
Cc1ncn2ccc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)cc12 | CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] | 0.541136 |
Cc1cc(-c2cc(F)cc3cccnc23)nc(-c2cccnc2)n1 | CCOC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1cccc(Cl)c1 | 0.544962 |
Cc1nnsc1CN1CCC[C@@H]1c1nc(-c2ccccc2)no1 | CSc1ccc2nc(N3C[C@H]4C[C@@H](O)[C@H]4C3)cc(C)c2c1 | 0.53556 |
N#Cc1ncccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O | Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cnn1-c1ccccc1 | 0.547974 |
CN(Cc1cc2ccccc2o1)C(=O)N[C@H](c1nccs1)C1CC1 | CC(C)n1nccc1NC(=O)[C@H](C)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 | 0.560738 |
Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCCC2 | C[C@@H](c1ccc(-c2nc(C(=O)O)nn2C)cc1)N1CCCC1 | 0.547619 |
COc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)c1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])CC2)cc1OC | 0.570204 |
c1csc(-c2nc(-c3nc([C@@H]4CCOC4)no3)cs2)c1 | Cc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)n3c2)cc1 | 0.637122 |
COc1ccc(CCn2c(C)c(C)c3c(NCc4ccccn4)ncnc32)cc1OC | c1ccc2c3c([nH]c2c1)C1(CCN(Cc2ccncc2)CC1)OCC3 | 0.683891 |
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1 | COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O | 0.812623 |
Cc1nnc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1 | COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCc3ccccc32)cc1F | 0.561715 |
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 | CN1CCCN(CC(=O)N[C@H]2CC(=O)Nc3ccccc32)CC1 | 0.528324 |
Cc1ccccc1-c1nc(-c2cccs2)no1 | CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(Cc1cnn(C)c1)CC2 | 0.541001 |
C[C@H]1CN(S(=O)(=O)c2ccccc2F)CCN1c1ccc(F)cn1 | COc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 | 0.520763 |
CCN(CC)C(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 | COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn23)cc1 | 0.625131 |
O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 | CC1=CC=C[C@]23C=C[C@]12c1ccccc1CC3 | 0.644153 |
O=C(CSCc1ccc(Cl)cc1F)N1CCCc2ccccc21 | Cc1ccc(C)c(C(=O)CSc2nnc(N3CCCC3)n2C[C@H]2CCCO2)c1 | 0.503825 |
CC(C)(C(=O)NCCn1nc2c(cc1=O)CCCCC2)c1ccc(Cl)cc1 | O=C(NCCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 | 0.588865 |
Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1F)CC(O)=N2 | C[C@H]1CN(C2CC2)CCN1C(=O)Cc1cn2ccsc2n1 | 0.517063 |
Cc1nc2ccc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2nc1C | Cc1ccc(/N=C2\C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1 | 0.529602 |
COc1ccccc1-c1ccc(N[C@@H](CC(C)C)c2cccnc2)nn1 | CC[C@@H](C(=O)NCCc1ncnn1C)n1cc(C(C)=O)c2ccccc21 | 0.550955 |
COc1ccccc1-c1nn(CN2CCC[C@H]3CCCC[C@@H]32)c(=S)n1C | Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 | 0.705295 |
Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1-c1cccnc1 | COc1ccc(CCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCCC2)cc1OC | 0.593716 |
CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1Br | Cc1ccc(-n2ncc3c2N(CC(=O)NCc2ccc(F)cc2)C(=O)N2CCN=C32)cc1 | 0.673407 |
CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 | Fc1ccccc1Cn1c(-c2ccccc2F)nc2cc3c(cc21)OCCO3 | 0.663317 |
O=c1c2ccccc2nc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 | O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2cn[nH]c2c1 | 0.519481 |
COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3F)c2)cc1 | Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nc3c(c2=O)SCC3)cc1 | 0.552795 |
O=C1CCCc2c1n(C[C@H]1CO1)c1c(Cl)cccc21 | CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccs3)C2=O)cc1 | 0.634872 |
Cc1cnc(Nc2cc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ccn2)s1 | CCOC(=O)C1=C(c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 | 0.609148 |
C[C@H](C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1)N1CCCCC1 | COC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)S1(=O)=O | 0.539205 |
Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(N)=O | COc1cccc(-n2ccnc2SCC(=O)N2CCCc3cc(OC)ccc32)c1 | 0.593946 |
CSc1ccccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O | Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccnc(N)n2)C1 | 0.547619 |
Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1 | Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)C2=O)cc1 | 0.676892 |
Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 | CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 | 0.517199 |
Cc1cccc2[nH]c3c(N4CCN(c5ccc(F)cc5)CC4)ncnc3c12 | Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 | 0.576635 |
O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc4ncccc34)CCN12 | Oc1ccc(/C=N/N=c2\scc(-c3ccccc3)n2Cc2ccco2)cc1 | 0.533546 |
Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc3c(c2)OCCO3)n(C)c1=O | O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(O)cc1 | 0.574468 |
CCn1nc(C(=O)N[C@@H]2CCc3ccccc32)c2ccccc2c1=O | CCc1nnsc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 | 0.544586 |
CCNCc1ccccc1NC(=O)c1cnn(Cc2ccc(OC)cc2)c1 | CCCC[N+]1=C2[C@H](OC(=O)c3ccccc3)CCN2Cc2ccccc21 | 0.574015 |
CCOC(=O)Cc1csc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 | Cc1cc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1 | 0.534351 |
O=C(NC1(C(=O)O)CCOCC1)[C@H]1CCCc2c1[nH]c1ccccc21 | O=C(OCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccccc1C2=O | 0.510226 |
Cn1nc(CNC(=O)c2c(F)cccc2Cl)c2c1CCOC2 | COc1ccc(NC(=O)CSc2nnc3nc(O)cc(N)n23)cc1 | 0.556624 |
COC(=O)c1cc(CNC(=O)c2scc3c2CCCC3)cc(NC(=O)Cn2cccn2)c1 | CC(=O)C(CC(=O)Cn1c(=O)sc2ccccc21)(C(C)=O)C(=O)n1c(=O)sc2ccccc21 | 0.639413 |
CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c(Cl)cccc13)C2 | CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F | 0.574491 |
O=C(CN1CCC[C@](O)(C(F)(F)F)C1)Nc1nc2c(s1)CCC2 | O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ccn2ccnc2n1 | 0.580273 |
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl | CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 | 0.510759 |
Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 | C[C@H]1[C@H](C)CCC[C@@H]1N(CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)Cc1c(F)cccc1Cl | 0.508418 |
O=C(O)Cn1cccc(-c2nc(C3CC3)no2)c1=O | Cc1cccc(C(=O)CN(C2=NCCCS2)c2ccc(F)cc2)c1C | 0.507625 |
CN(C)C(=O)c1cc(S(=O)(=O)N(CCO)[C@@H]2CCc3ccccc32)cn1C | CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(-n2ccnc2)nc1 | 0.516578 |
CC(C)Oc1ncccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 | O=C([C@H](O)c1cccnc1)N1CC=C(c2cccc3ccccc23)C1 | 0.534857 |
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCc3ncncc3C2)C1 | CC(C)N1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 | 0.579694 |
COc1ccc(C(=O)[C@@H](NCCCc2ccco2)c2oc(C)cc(=O)c2O)cc1 | O=C([C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1 | 0.512568 |
CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S | Cc1ccc(N2NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1Cl | 0.524176 |
CC(C)c1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@@H](CNC(=O)CCn2ccc(C)n2)O3)n1 | 0.571882 |
Cc1nsc(C)c1-c1noc(-c2cc(C)n(C3CCCCC3)n2)n1 | COCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | 0.584281 |
COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCCN1C)C2 | COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 | 0.602497 |
COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cccs5)[C@H]34)[C@@H]2C1=O | CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 | 0.645455 |
Cc1cncc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(C)C)ncn2)c1 | COCCN1C[C@@]2(CCCN(C(=O)c3ccc(Cl)cc3O)C2)CCC1=O | 0.53211 |
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 | O=C(c1cccs1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 | 0.623824 |
Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2oc(=O)n(C)c2c1 | Cc1ccc(-c2nnc(SCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)o2)cc1 | 0.536481 |
CCOC(=O)[C@](NC(=O)Nc1cc(Cl)ccc1OC)(Oc1ccccc1)C(F)(F)F | CCCCN1C(=O)/C(=C/NN2CCN(C)CC2)C(O)=NC1=S | 0.519108 |
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