p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cn1ccnc1-c1nccn1[C@H](Cn1cccn1)c1ccccc1 | CCc1noc(-c2cn([C@H]3CCN(C(=O)COc4ccc(F)cc4)C3)nn2)n1 | 0.553797 |
Cc1cc(N2CCC(NC(=O)c3cc4c(s3)CCC4)CC2)nc(C)n1 | Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1c(F)cccc1F | 0.555317 |
C/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1/N=C(\C)c1ccc(OCC(=O)O)cc1 | CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc21 | 0.596739 |
Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](CO)c1ccccc1 | CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 | 0.62614 |
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)NC(=O)N1c1ccc2c(c1)OCO2 | Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nn12 | 0.654196 |
COc1ccc(CCn2nc(C(=O)O)c3c2CCN(C(=O)C2CCOCC2)C3)cc1 | Cc1ccc(CCC(=O)NCCCn2cc(C(=O)N3CCCC3)nn2)cc1 | 0.521552 |
CC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1 | CCc1nc(C)c2c(C)c(C(=O)NS(C)(=O)=O)sc2n1 | 0.574268 |
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCc1cc(-c2ccco2)on1 | COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)C(C)C)c1 | 0.552821 |
COc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1-c1ccc(C(=O)O)o1 | COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)ccc1O | 0.65996 |
CCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 | CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl | 0.578778 |
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 | Cc1ncn(-c2ccc(NC(=O)c3cc(-c4cnn(C)c4)[nH]n3)cc2)c1C | 0.627411 |
CCc1cnc(CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 | COc1ccc(-c2nc([C@@H]3CC(=O)N(CC(C)C)C3)[nH]c2C)cc1 | 0.544248 |
CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)n(C)c1C | CCn1nc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)cc1C | 0.556044 |
C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc2nncn2c1 | Cc1ncccc1C(=O)NCCc1csc(-c2ccccc2)n1 | 0.506378 |
CCOc1cc(Br)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1O | COc1ccccc1C(=O)/N=c1\sc2c(n1C)-c1ccccc1CC2 | 0.683519 |
Cc1ccc(C2=Nn3c([n+](C)c4ccccc43)SC2)cc1 | CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 | 0.543316 |
Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 | CCOc1ccccc1CNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 | 0.671385 |
NC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)nc1 | CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1 | 0.536773 |
Fc1ccc2ncnc(N3CCN(C4CCC4)CC3)c2c1 | Cc1nc([C@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCc1ccccc1 | 0.544008 |
COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O | COc1ccccc1C(=O)NCCn1cc(SC(=N)N)c2ccccc21 | 0.51139 |
CC(C)c1noc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 | CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc(Br)c1 | 0.558065 |
Cc1cccn2cc(COC(=O)C[C@H]3Sc4ccccc4NC3=O)nc12 | COc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](O)[C@H]4O)[C@@H]3C2=O)cc1 | 0.556561 |
CN(C)C[C@@H]1OCCN(C(=O)c2cc(N3CCOCC3)no2)[C@H]1c1ccccc1 | COC(=O)c1ccccc1NC(=S)N1CCC(c2nc3ccccc3n2C)CC1 | 0.616193 |
Cn1c(C(=O)/C=C/c2ccc(C(=O)O)cc2)nc2cc(Cl)ccc21 | CC(C)c1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1 | 0.565979 |
Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 | CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCOc4ccccc43)CC2=O)cc1 | 0.57265 |
CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cn1 | C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(OC)c1O | 0.532189 |
COc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O | COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)c1 | 0.580367 |
COc1ccc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H](C)c2ccccc21 | CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 | 0.621481 |
CCc1cc(C(=O)N2CCOC[C@@H]2c2[nH]ncc2C)on1 | CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cnn(C)c2)C1 | 0.570485 |
CCCn1c(C)nnc1CN1CCSC[C@@H]1c1cnn(C)c1 | Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] | 0.513742 |
Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c4nc23)c(C)c1 | O=C1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1CC1CCCC1 | 0.721722 |
CCCCN1C(=O)CC[C@H](C(=O)OCc2cc(=O)oc3cc(OC)ccc23)[C@@H]1c1ccccc1OC | CCOc1ccc(/N=C2\S[C@@H](C)C(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 | 0.700599 |
CC(C)[C@@H]1C[C@](CCN2C(=O)c3ccccc3C2=O)(c2ccccc2)CCO1 | CCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)nc2s1 | 0.535752 |
O=C([C@@H]1CCc2c[nH]nc2C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 | O=C(c1ccc2c(c1)CCO2)N1CCCN(c2nnnn2-c2ccccc2)CC1 | 0.587565 |
CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1O | Cc1cc(-n2cccn2)ccc1CN1CCN(c2ccc(C#N)cc2)C(=O)C1 | 0.533728 |
O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)CC2)Nc2ncccc21 | CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 | 0.700103 |
CCn1c(=O)c(C(=O)CSc2nnnn2C2CCCCC2)c(N)n(Cc2ccccc2)c1=O | O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 | 0.663296 |
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OCC)c(F)c3)ccc21 | O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 | 0.609861 |
CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(F)cnc21 | CN(C)CCn1ccc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc21 | 0.542427 |
O=C(Cc1ccccc1)NCCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 | CC[C@H](O)[C@H](O)C1=Nc2c(O)nc(N)nc2NC1 | 0.54796 |
CCN(CC)CC(=O)Nc1c2c(nc3ccccc13)N(c1cccc(C)c1)CC2 | CC1(C)CN(Cc2c[nH]nn2)C[C@H](c2cccc(C(F)(F)F)c2)O1 | 0.515856 |
O=C(Nc1nc2ccc3scnc3c2s1)N1CCc2c(F)ccc(F)c2C1 | Cc1ccc(C)c(Oc2cc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3CC[C@@H]4O3)cc([N+](=O)[O-])c2)c1 | 0.637295 |
CC[C@@H](Sc1nc(CC(=O)Nc2nnc(C3(C(F)(F)F)CC3)s2)cs1)C(N)=O | CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2cccn2C)C1 | 0.575855 |
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 | COc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CCc2ccccc2)c1 | 0.641885 |
Cc1nc(O)c2nnn(C[C@H]3CCCN(C(=O)c4cc(F)ccc4F)C3)c2n1 | Cc1n[nH]c(C)c1CCNS(=O)(=O)c1c(C)nn(C)c1C | 0.517572 |
COc1cccc(-n2nnc(-c3nc(-c4ccc(OC)c(OC)c4)no3)c2C)c1 | COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)CSc2nnc(N)s2)cc1OC | 0.66599 |
COc1ccc(CCN2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)cc1 | CCN1C(=O)CC[C@H](CNCC2=CCCOC2)[C@H]1c1cnn(C)c1 | 0.529345 |
COc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 | Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F | 0.852217 |
Cc1ccccc1-n1c(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nnc1N1CCOCC1 | C[C@@](O)(CNc1ncnc2ccsc12)C(=O)O | 0.550892 |
O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)s1 | C=CCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O | 0.740741 |
O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CC(F)(F)C[C@@H]1CO | COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 | 0.612445 |
Cc1cc(C)n2c(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)nnc2n1 | CCSc1ccccc1C(=O)Nc1sccc1C(=O)NC | 0.550679 |
COC(=O)c1n[nH]cc1NC(=O)c1cccc(C2CC2)c1 | Cc1nc2ccccc2n1Cc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 | 0.510661 |
CCN1CCO[C@@H](CNC(=O)c2occc2C)[C@@H]1c1cnn(C)c1 | CCOc1ccccc1[C@@H]1CC(c2ccccc2NS(=O)(=O)c2ccccc2)=NN1C(C)=O | 0.633745 |
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCN(C)CC2)cc1OC | CCCCn1c(N)c(N(C)C(=O)c2ccc(CC)cc2)c(=O)[nH]c1=O | 0.618143 |
CCCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)n[nH]c1=O | Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)c1 | 0.582334 |
COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 | Cc1cc(N(C)C)cc([C@@H]2CN(Cc3ccccn3)CCO2)n1 | 0.550321 |
CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(Cc3cnn(C)c3)C2)C1 | CCc1nn2c(nnc3c(=O)n(CCCO)ccc32)c1-c1ccccc1 | 0.517635 |
Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 | CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3cc(OC)no3)C2)C1 | 0.542955 |
Cc1nn(C)c2cnn([C@H](C)C(=O)N3CCSCC3)c12 | CCOc1ncccc1C(=O)Nc1ccnn1Cc1ccc(C)o1 | 0.568376 |
CC1(C)CC[C@H](C(=O)N2CC(c3cc(CO)on3)C2)O1 | CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nc(C)no3)CC2)c1C | 0.528509 |
CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 | CN(C)c1nc2c(c(N3CCC(OCc4cccnc4)CC3)n1)CCCC2 | 0.521405 |
COc1ccc(Cl)cc1NCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O | COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCCCCC1 | 0.605495 |
Cc1ncc2c(n1)CCC[C@H]2NCc1cc2ccccc2n(C)c1=O | O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)Nc1ccccc1 | 0.651721 |
COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCOCC(F)(F)C1 | Cc1ccc(OCC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 | 0.526024 |
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3F)o2)cc1 | O=C(NC[C@@H]1CCCO1)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CCCC1 | 0.551613 |
Cc1cccc2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc(=O)n12 | CC1(C)C[C@@]1(CNCc1c(C(=O)N2CCCC2)nc2ccccn12)c1ccccc1 | 0.663234 |
Cc1ccc2[nH]c(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)cc2c1C | COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1 | 0.6 |
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 | CCS(=O)(=O)CCN1CC[C@H](n2cnc3c2CCCC3)C1 | 0.590909 |
Cc1noc(C)c1S(=O)(=O)N1CCN2CC(=O)Nc3cc(-c4ccccc4)ccc3OC[C@@H]2C1 | CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCC[C@@H]3c3n[nH]c(C)n3)c12 | 0.705231 |
CCOc1ccc(NC(=O)CNC(=O)c2snnc2CC)cc1 | CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)cc1 | 0.517582 |
O=S(=O)(c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)nc1)N1CCCC1 | Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccc(F)cc3)C2=O)cc1Cl | 0.741153 |
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(CCCn1ccnc1)C2=O | CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(C)cc1 | 0.547991 |
COc1cccc([C@H]2CCCCN2C(=O)c2sc(C)nc2C)c1 | O=C(c1ccc(C(F)(F)F)nc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O | 0.596933 |
Cn1c(Cn2cccn2)nnc1C1CCN(Cc2cccc(F)c2F)CC1 | COc1ccc(C)cc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1F | 0.60766 |
COc1ccc2c(=O)cc(-c3ccc(N(C)C)cc3)oc2c1OC | O=C(C1=CCOCC1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 | 0.608787 |
N#Cc1ncccc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 | O=C1NC(=O)[C@](F)(n2cc(F)c(=O)[nH]c2=O)[C@@H](O)N1 | 0.643002 |
C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 | NS(=O)(=O)c1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 | 0.505882 |
C[C@H](NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)c1cc[nH]n1 | Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(C)cc2)cc1 | 0.566176 |
COc1cc([C@@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC | O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 | 0.682281 |
CN(Cc1cnc2n1CCOC21CCN(C(=O)[C@@H]2CCOC2)CC1)CC1CC1 | COC[C@@H](NC(=O)c1coc(C(N)=O)c1)c1ccc(F)c(F)c1 | 0.507903 |
Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 | C[C@@H]1Oc2ccc(NC(=O)c3ccn(C(F)F)n3)cc2NC1=O | 0.57563 |
COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N | Cn1c(SCC(=O)N2CCc3ccccc32)nnc1[C@H]1COc2ccccc2O1 | 0.67418 |
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2C)cc1 | Cc1cc(C)c(CN2CCC(C)CC2)cc1CN[C@H](C)c1nncn1C | 0.502016 |
Cn1cc(Cl)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 | Cc1csc(N(C(=O)c2ccc(NC(=O)C3CC3)cc2)C2CC2)n1 | 0.512623 |
Cc1ccc(N2C(=O)[C@@H]3C(=O)Oc4ccccc4[C@@H]3[C@@H](C)C2=O)cc1 | COc1ccc(CCN2CC(=O)N3[C@H](c4cccc(OC)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 | 0.749251 |
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1nc2ccsc2c(=O)[nH]1 | Cc1cc2[nH]c(C(=O)N[C@@H]3CCc4n[nH]c(C)c4C3)cc2o1 | 0.721311 |
Cn1c(=O)oc2cc(S(=O)(=O)NCC3(C)Cc4ccccc4C3)ccc21 | CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 | 0.684694 |
COc1ccc(CNC(=O)c2nsc(C(=O)NCCc3ccc(OC)c(OC)c3)c2N)cc1 | COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 | 0.607864 |
CCN1CN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1=O | CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Nc1ccc2c(c1)OCO2 | 0.59292 |
CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 | CCO[C@@H]1C[C@@](NC(=O)c2cc(C(C)C)oc2C)(C(=O)O)C1(C)C | 0.573996 |
Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O | COCCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 | 0.594937 |
CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O | C[C@@H]1CN(C)CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C | 0.510474 |
Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCN(Cc3nccn3C)C2)n1 | O=C(NCC(F)(F)F)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 | 0.511931 |
Cc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1C(N)=O | COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1 | 0.501714 |
CSc1ccccc1NS(=O)(=O)c1c(Cl)nc2ccccn12 | COc1ccc2cc([C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc2c1 | 0.543384 |
O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl | COc1ccc(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)cc1OC | 0.592865 |
CS(=O)(=O)N1CC2(CN(C(=O)/C=C/c3cccs3)C2)c2nccnc21 | COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1OC | 0.686235 |
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1 | O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccnc1 | 0.605096 |
CCOc1cc(/C=N/O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc1OC | 0.517058 |
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