p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
NC(=S)/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1Cl | Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccccc1COC1CCOCC1 | 0.559341 |
COc1ccc2[nH]cc(CCNC(=O)CCc3nc(-c4ccccc4)no3)c2c1 | Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cn2c(C)cccc2n1 | 0.615385 |
CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)COC | CC(C)(CCS(C)(=O)=O)CNC(=O)NCc1ccc(F)cc1 | 0.315981 |
CC12CC(NC(=O)c3cccc(NCc4ccccn4)c3)(C1)C1(CCNCC1)O2 | Cc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)c1 | 0.507345 |
O=C(/C=C/c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccccc1 | Cc1cccc2nc(C3CCN(C(=O)c4cc(C)n(C)n4)CC3)oc12 | 0.542354 |
Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 | COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1OC | 0.602537 |
COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(OC)c2OC)O[C@@H]2C[C@H](C)CC[C@H]21 | COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)no2)cc1 | 0.542795 |
O=C(O)CCN(CC1CC1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 | C[C@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc2S1 | 0.500581 |
O=c1n(CCCNc2ncccc2F)nc2ccccn12 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O | 0.503885 |
COCCn1ccnc1[C@@H]1CCCN(C(=O)c2c(C)nc3cc(C)ccn23)C1 | CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 | 0.604339 |
Cc1nnsc1C(=O)NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 | Cn1cccc1C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 | 0.638889 |
COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 | Cn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccc(F)cc1 | 0.550647 |
Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)NC3CCCC3)c(=O)c12 | COc1cc2nc(C3CC3)n(NC(=O)c3cccs3)c(=O)c2cc1OC | 0.746707 |
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1OC | COCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1ccccc1)N1c3ccccc3C=C[C@H]21 | 0.636548 |
Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 | O=C(O)c1cccc(CCNS(=O)(=O)c2cn3c(n2)CCCC3)c1 | 0.537099 |
CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)C2 | Cc1ccn([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)c1 | 0.707819 |
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | CCCC[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O | 0.599581 |
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCn2nccc21 | CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F | 0.642051 |
Cc1cc(C)n(CC(=O)NCc2nc3ncccc3o2)c(=O)n1 | Cc1noc(C)c1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2)C1 | 0.503919 |
O=C1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CN1 | CN(C)C(=O)COCc1cncc2c1CCN(C(=O)C1(C#N)CCCC1)C2 | 0.51139 |
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 | COc1cccc(CN2CCN(C(=O)NCc3ccncc3C)CC2=O)c1 | 0.513026 |
FC(F)(F)c1cccc(-n2nc(-c3cscn3)nc2C2=COCCC2)c1 | COC(=O)c1cc(-c2ccco2)nc2c1c(=O)[nH]c(=S)n2C1CC1 | 0.755224 |
Cc1nn(C)c(C)c1CC(=O)N(Cc1ccco1)Cc1cccs1 | CC(C)c1ccccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCOCC2)C1 | 0.511338 |
CC1(C)O[C@H]2[C@@H](O1)[C@H](C(=O)NCCC(=O)O)O[C@H]1OC(C)(C)O[C@@H]12 | CCOC(=O)c1c(NC(=O)CSc2nc3nc(C)cc(C)n3n2)sc(C(C)=O)c1C | 0.584867 |
COc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S | COc1ccc(N([C@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 | 0.562368 |
Cc1c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cnn1C | Cc1nc(CC(=O)Nc2c(C(F)F)n[nH]c2C)c(C)s1 | 0.50723 |
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(OC)cc(OC)c1 | CCc1ccc([C@@H]2CCCN2C(=O)[C@H](O)c2cnc[nH]2)o1 | 0.560641 |
O=C1CCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)=NN1 | CN(C)c1nc(N2CCOCC2)c2c(n1)C1(CC2)CCN(C(=O)c2cn[nH]c2)CC1 | 0.582719 |
Cn1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)n1 | CN1CCN(c2cccc(N=c3ccc4nc[nH]c4[nH]3)c2)C1=O | 0.540154 |
Cc1nnc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)o1 | C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3)C(=O)N[C@H](C)c1ccccc1 | 0.75617 |
Cc1c(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cnn1C1CCCCC1 | CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O | 0.527331 |
CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 | Cc1ccnc(O[C@H]2CCOC3(C2)CN(C(=O)Cc2ccsc2)C3)n1 | 0.610832 |
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(F)cc1 | CCCN(CCC)c1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1 | 0.537251 |
O=C(c1cc2ccccc2s1)N1CCC[C@H](c2ccncn2)C1 | CC[C@H](NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 | 0.508989 |
Cc1cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)ccc1Cl | c1ccc(Cn2cc(CNC[C@H]3CCCO3)c(-c3cc4ccccc4o3)n2)cc1 | 0.531116 |
O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1ccc(F)cc1F | CCOC(=O)c1ncoc1-c1ccc(OC)c(OC)c1 | 0.546652 |
CCc1cc(CN[C@H]2CCCOc3c(C)cc(C)cc32)on1 | COc1ccc([C@H](NC(=O)c2sc3nc(C)nc(C)c3c2C)C(=O)O)cc1 | 0.606157 |
Cc1nc2n(n1)C[C@H](/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(Cc3ccccc3)c1)CC2 | COc1cncc([C@H](NC(=O)c2ccc(-n3cnnn3)cc2)[C@H]2C[C@@H](O)C2)c1 | 0.628099 |
O=C1CCc2cc(C(=O)N[C@@H](CO)Cc3ccccc3)c(F)cc2N1 | CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1 | 0.520325 |
O=C(COCC(F)(F)F)N1CCC[C@H](c2nnc3ccccn23)C1 | CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(C)Cc3ccccc3)ccc2c1=O | 0.528749 |
COc1cc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc(OC)c1OC | O=C(Nc1ccccc1Cl)[C@H]1COCC(=O)N1Cc1ccccc1 | 0.529158 |
COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 | CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 | 0.562069 |
COc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1ccc(C)cc1 | Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2n[nH]c3ccccc23)[C@H](O)C1 | 0.543131 |
CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[nH]c(=S)n32)C1 | NC[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 | 0.603792 |
O=C(CN1C(=O)COc2ccccc21)Nc1nc2c(Cl)cccc2s1 | CC(C)[C@H](Nc1ncc(Cl)cn1)c1nnc2n1CCC2 | 0.52 |
Cc1nccc(C(=O)N2CCC[C@@]2(C)Cc2cc(Cl)cs2)n1 | Cc1cc(C(=O)Nc2ccc3ncccc3c2)c(C)n1C | 0.514908 |
CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 | CCCOc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 | 0.532089 |
O=C(O)c1ccccc1CN1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 | Cn1ncc2c(-c3ccc4c(c3)OCO4)c3oc4cc(O)ccc4c3nc21 | 0.547521 |
CCn1c(SCc2ccc(C(=O)NC)cc2)nnc1-c1cccc(Cl)c1 | O=C(C[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)NCc1ccccc1 | 0.62278 |
COCCCn1c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 | Cc1cc(OC2CN(C(=O)COc3ccc(C(C)C)cc3)C2)cc(=O)n1C1CC1 | 0.599372 |
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)Sc2ccccc21 | CC(C)[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 | 0.591304 |
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c(O)c1 | CN(Cc1cccnc1)C[C@@H]1CCN(c2nccn(C3CC3)c2=O)C1 | 0.600827 |
O=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1cccc2nonc12 | CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O | 0.550052 |
CN1CCC(n2nccc2NC(=O)c2cccc(-n3cnnc3)c2)CC1 | CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 | 0.646586 |
COc1ccc(CN2CC[C@@]3(COCC(=O)N(C(C)C)C3)C2)cc1OC(C)C | COc1c(C(=O)N2CCO[C@H]3CCCC[C@H]32)cnc2ccccc12 | 0.568386 |
CCOC(=O)/C=c1/s/c(=C/c2ccc(SC)cc2)c(=O)n1Cc1ccc(F)cc1 | COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C2=O)cc1 | 0.577825 |
C[C@@H](C(=O)NCCn1ncc(-c2ccc(F)cc2)c1-c1nccn1C)c1ccccc1 | Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)CC1 | 0.668033 |
CN(C)c1nccc2c1CN(C1=NCC3(CCOCC3)N1)CC2 | Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C | 0.580367 |
COc1cc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc(OC)c1OC | CC1=C(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)SCCO1 | 0.607803 |
O=C(NC[C@@H](c1ccccc1F)N1CCCC1)N1CCc2nc[nH]c2C1 | CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 | 0.507446 |
Cc1ccccc1CN1CCCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 | O=C1CN(c2ccccc2)C(=O)N1Cc1noc(-c2ccco2)n1 | 0.611111 |
CCOc1ccc(C(=O)NC)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 | CC1(C)C(=O)O[C@@]2(c3ccc(Br)cc3)[C@@H]1OC(=O)C2(C)C | 0.510074 |
COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC | CC1([C@H]2CCCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)C2)OCCO1 | 0.590909 |
O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N1CCOCC1 | COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc3cccc(OC)c3o2)cc1OC | 0.581798 |
Cc1ccc(N2CCN(C(=O)c3onc4c3CCCC4)CC2=O)cc1 | CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)C1=O | 0.67112 |
O=C1C[C@@H](c2nc(-c3cn4ccccc4n3)no2)CN1Cc1cccnc1 | C[C@@H]1C[C@H](N)CCN1C(=O)CN1CCOc2ccc(Cl)cc21 | 0.540512 |
CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 | COCCN1C[C@@H](C(=O)Nc2c(C)c(-c3ccccc3)nn2C)CCC1=O | 0.635796 |
COCCNC(=O)Cn1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c2ccccc21 | CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCC(=O)N1C | 0.531915 |
Cc1cc([C@H](C)NC(=O)N[C@@H]2CCCCNC2=O)c(C)s1 | COCCCN(Cc1ccccc1C(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O | 0.530786 |
CN(C)Cc1c(O)ccc2occ([C@H](O)c3ccccc3)c12 | CN(C)CCN(C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cnc3ccccc3c2)[C@@H]1O | 0.558539 |
COC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C1 | O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 | 0.525967 |
C[C@H](OC(=O)COc1ccccc1C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl | C=CCN(C(=O)c1cc2ccc(OC)cc2n1C)[C@H]1CCS(=O)(=O)C1 | 0.541037 |
Cn1cc(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)c(O)nc1=O | Cc1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 | 0.570213 |
CCn1c([C@H]2CCCNC2)nn(Cc2ccc(S(C)(=O)=O)cc2)c1=O | COc1ccc(OC[C@@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 | 0.706118 |
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(SC)cc1 | O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCO[C@@H]2CCC[C@H]21 | 0.652736 |
CCN1CCN(C(=O)c2cccnc2OC)C[C@H]1c1ncc[nH]1 | C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1Br | 0.583514 |
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2)CC1 | CCC[C@@H]1CCc2sc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)cc2C1 | 0.607676 |
Cc1ccc(C2(O)CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)nc1 | COC(=O)Cc1c(O)ccn(Cc2ccccc2OC)c1=O | 0.531003 |
COc1cccc(-n2cnnc2SCC(=O)c2cc(C)n(CCc3cccs3)c2C)c1 | CNc1cc([C@H]2CCCN2C(=O)Cn2cc(CO)nn2)ccn1 | 0.560043 |
COc1cc(NC(=S)NC(=O)c2ccccc2OC)ccc1NC(=O)c1cccs1 | CCn1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c2c(c1=O)CCCC2 | 0.611955 |
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCC(=O)O)c(OC)c1 | CCc1nc2n(n1)C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)CC2 | 0.764414 |
COc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc2ccccc12 | O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)OCCO2 | 0.649949 |
Cc1c(C(=O)N2CC[C@H](C(=O)O)C2)cnn1-c1ccc(F)cc1 | Cn1cc(N2[C@@H](C(=O)O)CC[C@H]2C(=O)N2CCc3ccccc3C2)cn1 | 0.588865 |
CC[C@@H](Nc1ccc2nnnn2n1)c1ccc(Br)cc1 | CCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 | 0.506711 |
C=CCOc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cccc1OC | COc1ccccc1[C@H]1CN(C(=O)/C=C/c2ccc[nH]2)CCN1 | 0.553691 |
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C | CCn1cccc1-c1noc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 | 0.513455 |
Nc1ccc(S(=O)(=O)NC/C(=N/Nc2nncc3ccccc23)c2ccccc2)cc1 | Cc1[nH]c2c(c1C(=O)O)C(=O)C[C@H](c1cccs1)C2 | 0.558635 |
Cc1ccc(OCc2nc(Cc3ccccc3)no2)c([N+](=O)[O-])n1 | O=C(c1n[nH]cc1Cl)N1CC[C@@](O)(COc2cccc(F)c2)C1 | 0.502787 |
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 | COc1ccc([C@@H]2CCCCCN2C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 | 0.673278 |
C(=N/n1cnnc1)\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 | Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c(F)c1 | 0.588235 |
CC(C)c1noc([C@@H](C)N2CCN(C[C@H](O)Cn3cccn3)CC2)n1 | CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(OC)cc3)N(c3ccccc3)N2)C1=O | 0.51153 |
C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 | CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C=O)NC(=O)OC(C)(C)C)cc1 | 0.568443 |
O=C(N[C@H]1CCc2ccccc21)c1cn[nH]c1C(F)(F)F | O=C1NC2=C(C(=O)N(CCN3CCCC3)C2)[C@@H](c2ccc(Cl)c(Cl)c2)N1 | 0.556522 |
COc1cccc(N2CCN([C@H](C(=O)O)c3cc(F)ccc3OC)CC2(C)C)c1 | O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cn1 | 0.519565 |
CCOc1cc(/C=C/C(=O)OCC(=O)Nc2cccc3nsnc23)cc(Cl)c1OC | O=C(c1cc2n(n1)CCN(Cc1ccc3nonc3c1)C2)N1CCCC1 | 0.553514 |
N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1cc2c(s1)CCC2 | C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1nc2ccccc2c(=O)[nH]1 | 0.583851 |
Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1[N+](=O)[O-] | CCOC(=O)c1c(NC(=O)CN2CCN(C(C)=O)CC2)sc2c1CCCC2 | 0.601464 |
CN(C)C(=O)c1cccc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)n1 | CCc1ccc([C@H]2NC(=O)NC(CN3CC(=O)N(CCc4ccccc4)C(=O)C3)=C2C(=O)OC)cc1 | 0.637681 |
Cc1ccc([C@@H](NC(=O)CCc2c(C)nc3nc(C)nn3c2C)c2cccnc2)cc1 | CSc1cccc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)c1 | 0.520263 |
Cc1cc(C)c2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C#N)cc2c1 | COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccccc2)cc1 | 0.566381 |
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