p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1noc(C2CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)n1 | C=CCn1c(C)cc(C(=O)COC(=O)/C(=C/c2ccccc2)n2nnnc2C)c1C | 0.50523 |
CC(C)CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 | COc1ccccc1CNC(=O)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 | 0.61608 |
CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 | Clc1ccc(-n2nnc3ccc4ccccc4[n+]32)cc1 | 0.593238 |
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1OC | O=C(Nc1nc2c(s1)COCC2)[C@H]1CCCN1C(=O)Cc1ccccc1 | 0.540453 |
Cc1cn2cc(CNC(=O)c3ccc(-c4cccs4)nc3N3CCCC3)nc2s1 | CCCCn1c(C)c(C)c2c1ncn1nc(-c3ccncc3)nc21 | 0.725806 |
COCOC(=O)[C@@H]1N2C(=O)[C@@H](N3C(=O)[C@@H](c4ccc(O)cc4)NC3(C)C)[C@H]2SC1(C)C | O=C(C1=C(O)C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 | 0.794 |
O=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccc2cc[nH]c2c1 | CC[C@@H](c1nc(-c2cc(Cl)ccc2OC)no1)n1cc(Cl)cn1 | 0.60829 |
COC(=O)C1(CNCc2nc(-c3cccc(C(F)(F)F)c3)oc2C)COC1 | Cc1nc([C@@H]2CCCN2c2nccc(Oc3ccccc3)n2)[nH]c1C | 0.507919 |
CO[C@]1(C)C[C@@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1(C)C | CC(C)n1ncc2c(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc(C3CC3)nc21 | 0.575851 |
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(N3CCOCC3)ccn2)s1 | Cc1nc2cc(OCc3nc(C(=O)N4CCN(C)C(=O)[C@@H]4C)co3)ccc2s1 | 0.63886 |
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccccc2F)cc1 | O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NC[C@H]1CNC(=O)C1 | 0.518307 |
CCc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)cc1 | Cc1nc([C@H](NC(=O)CN2CCOCC2=O)c2ccccc2F)no1 | 0.517919 |
COc1cc2c(cc1OC)CN(Cc1nc(C(C)(C)C)no1)CC2 | NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3C[C@@H]32)CC1 | 0.503448 |
Fc1cccc(CN2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1F | C[C@H](O)[C@H]1CCCCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 | 0.572795 |
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O | Cc1nc2ccccn2c(=O)c1CCn1ccnn1 | 0.523915 |
COc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)n[nH]1 | Cc1ccc(CC(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)cc1 | 0.548663 |
COc1cccc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1 | C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccn(-c2cccc(F)c2)n1 | 0.741675 |
O=C(Cc1cccs1)NCc1nc(NCCCc2ccccc2)c2ccccc2n1 | CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1noc(CC)n1 | 0.517554 |
COc1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccccc3C)c2)n1C | O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccccn1 | 0.666667 |
COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(=O)O | O[C@H](CN1CCN(c2nccs2)CC1)c1cc2ccccc2o1 | 0.500555 |
CCn1c(CCC(N)=O)nnc1SCC(=O)N1CCC[C@H]1c1cccs1 | O=C(C1=NO[C@@]2(CCCN(Cc3ccc(F)cc3F)C2)C1)N1CC(F)(C2CC2)C1 | 0.602926 |
COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 | O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 | 0.620513 |
CNS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)O)o1 | CN1CCO[C@H](C(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)C1 | 0.589989 |
CNc1nc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)cs1 | COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2OC)cc1 | 0.549839 |
CC(C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C1 | O=C(c1cc(-c2ccncc2)on1)N1CCC[C@H](N2CCNCC2=O)C1 | 0.516496 |
Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccco5)CC[C@@H]43)cc2n1 | CNC[C@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 | 0.518033 |
C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCc3cc(F)cc(F)c32)C1=O | O=C(Cn1cnc2ccccc2c1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 | 0.740741 |
CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2n[nH]c(C)c2C)CC1 | O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 | 0.561521 |
CN1C(=O)CO[C@@H](c2nc(-c3ccncc3)no2)[C@@H]1c1ccccc1 | O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2s1 | 0.674538 |
COc1cccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 | CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 | 0.528588 |
COc1cc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc(OC)c1OC(C)=O | Cc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1NC(=O)C(C)C | 0.647177 |
O=C(c1ncc(F)cc1F)N1CCN([C@@H]2CCc3ccccc3C2)CC1 | Cc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccccc2)cc1 | 0.516421 |
CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 | O=C(N[C@@H]1CCCNC1=O)c1cc(-c2ccco2)nc2ccccc12 | 0.644467 |
O=C([C@H]1CCCc2cccnc21)N1CC2(CCCCC2)C1 | CCN1C(=O)[C@]2(/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 | 0.685294 |
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O | COc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2nnc[nH]2)c(OC)c1 | 0.562893 |
COc1ccc2c(C)c(Br)c(=O)oc2c1NC(C)=O | Cc1ccccc1N1C[C@H](C(=O)Nc2nc3ccccc3s2)CC1=O | 0.607296 |
COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccn1 | C[C@H]1CN(C(=O)c2cc(-c3csc(Cc4ccccc4)n3)n3ccccc23)C[C@H](C)O1 | 0.583942 |
C[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccco2)C1 | Cc1cc(-c2ccccc2)nc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)nn12 | 0.596891 |
COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccccc2F)cc1OC | O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 | 0.590814 |
C[C@H]1Cc2cc(CNC[C@@H]3CSc4ccccc43)ccc2O1 | Cc1ncccc1CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1 | 0.535832 |
CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1csc(C(C)C)n1)C2 | COc1ccc(COn2c(=O)c(-c3ccco3)[n+]([O-])c3ccccc32)cc1OC | 0.745491 |
C[C@@H](O)CNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 | O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1[nH]nc2c1CCCC2 | 0.547334 |
CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1OC | CC(=O)c1ccc2ccccc2c1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@@H]3C2=O)c1 | 0.699487 |
CN1C(=O)[C@@](CCC(=O)NC2CCNCC2)(Cc2ccccc2)c2ccccc21 | COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cn1 | 0.620843 |
NC(=O)C1CCN(c2ncccc2CNc2ncnc3c(F)cccc23)CC1 | COc1cccc(-c2nc(CC(=O)Nc3ccc(Cn4cncn4)cc3)cs2)c1 | 0.558824 |
CNC(=O)c1sc2nc(Cc3ccc(C(C)C)cc3)[nH]c(=O)c2c1C | Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)CCc1ccccc1 | 0.668367 |
O=C1OC(c2ccccc2)=C/C1=C1\c2ccccc2-c2ncccc21 | O=C(c1cnc(O)c(Br)c1)N1CC[C@@H](N2CCCCC2)C1 | 0.540827 |
CCOC(=O)C1=C(CN[C@H](CO)c2cccc(Cl)c2F)NC(=O)N[C@@H]1C | COc1ccc([C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 | 0.538627 |
O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)N3CCC[C@@]123 | Cc1ccccc1OC[C@@H](O)CN1CCc2sccc2[C@@H]1C | 0.582474 |
CCc1cccc2c(C3CCN(C(=O)C4=CCOCC4)CC3)c[nH]c12 | COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 | 0.572805 |
O=C(O)[C@@H]1CN(Cc2cnc(N3CCCC3)nc2)Cc2ccccc21 | COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccs1 | 0.521925 |
CCC[C@H](CC)CNc1ncnc2c1oc1ccccc12 | CN1CCC[C@@H](CNC(=O)Nc2ccc3cnccc3c2)[C@@H]1c1ccnn1C | 0.564935 |
Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)c12 | COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1OC | 0.817374 |
Cc1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1C | O=c1c(O)c(-c2cccnc2)oc2ccc(Cl)cc12 | 0.531659 |
CC(=O)N1CCc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc21 | COc1ccc(CCNC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 | 0.52205 |
O=C(Nc1ccnn1Cc1ccccn1)N1CCN(C2CCCCC2)CC1 | c1cnc(N2CCCCC2)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 | 0.512443 |
COc1cccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2nccn2C)c1 | COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1 | 0.682801 |
Cn1ccnc1[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H]1N | COC(=O)[C@H](CCC(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F)NC(=O)OCc1ccccc1 | 0.517241 |
Cc1ccccc1-c1cc(C(=O)NCCN(C)CCO)c2cnn(C(C)C)c2n1 | CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2C(=O)C2CC2)nn1 | 0.512144 |
COc1cccc(NC(=O)Nc2nc3c(OC)cccc3s2)c1 | COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 | 0.574557 |
COc1cccc(-c2cc(NCc3nccn3C)n(C)n2)c1 | CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 | 0.534351 |
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)no1 | CN(C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12)[C@@H]1CCS(=O)(=O)C1 | 0.57033 |
Cc1cc(CN2CC[C@@H]2CNC(=O)c2csc3ccccc23)on1 | O=C(O)COC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 | 0.540484 |
O=C(/C=C/c1cccs1)N1CC[C@H]2[C@@H](CCCN2C(=O)c2onc3c2CCCC3)C1 | COCCn1cc2c(n1)[C@@H](CNCc1ccsc1)OCC2 | 0.628055 |
CC(C)(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 | COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)N1CCCC1 | 0.660825 |
CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)c1 | C[C@@H](NC(=O)[C@H]1Cc2ccccc2NC1=O)c1ccc2c(c1)CC(=O)N2 | 0.648621 |
O=C(O)[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2scc(-c3ccccc3)c12 | CCc1noc(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 | 0.573514 |
C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(OC)cc3O)C2)n1C | Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1 | 0.584499 |
Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)oc2ccc(F)cc12 | Cc1nn(CC(=O)NCCCN2CCC[C@@H](C)C2)c(=O)c2cc3sccc3n12 | 0.752515 |
Cc1o[nH]c(=N)c1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C | CCc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 | 0.681633 |
COCc1c(C(=O)N(C)[C@H]2CCOC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 | COCCOCC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 | 0.579055 |
COC(=O)[C@H](NCc1nc(O)c2c(-c3ccccc3Cl)csc2n1)C1CC1 | COc1ccc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)cc1 | 0.60865 |
Cc1ccc(O)c(NC(=O)c2nc([C@H](C)N)sc2C)n1 | COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccccc1 | 0.541802 |
CCCC1=C(C(=O)OCC)[C@H](c2cccc(F)c2)C2=C(C[C@H](C)[C@H](C(=O)OCC)C2=O)N1 | CC[C@@H](C)N(CC(=O)O)CC(=O)N1CCSc2ccccc21 | 0.535934 |
CC(C)Oc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)c1 | COCCN1CC[C@]2(CN(C(=O)c3ccn(C)n3)C[C@H]2c2cn(C)cn2)C1=O | 0.673116 |
CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1nc3ccccc3n1C(C)C)CC2 | COc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1 | 0.639918 |
CC(C)c1cc(C(=O)N2CCOC[C@H](Cc3ccncn3)C2)cs1 | O=C(Nc1ccc(Br)cn1)c1cc2nccc(-c3cccs3)n2n1 | 0.56639 |
C[C@H]1CN(CC(=O)Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c2ccc(F)cc2O1 | O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCC[C@H]1c1cccnc1 | 0.668724 |
O=c1c([C@@H]2NCCc3c2[nH]c2ccccc32)c(O)nc(O)n1C1CCCCC1 | COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCC3)nn1-c1ccc(Br)cc1)C2 | 0.872798 |
CC(=O)N1c2ccc([C@H](O)CN3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C | CSCc1ccc(C(=O)N2CC(Oc3c(C)cccc3C)C2)o1 | 0.513605 |
CSCC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2[nH]1 | COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 | 0.719 |
Cc1ccccc1OC[C@@H](O)Cn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 | C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 | 0.749229 |
COC(=O)CCC(=O)N1CCCc2cccc(Cl)c21 | Cc1nn(C)c(Cl)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 | 0.503212 |
Cc1n[nH]cc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 | Cn1cccc1C(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 | 0.511287 |
CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 | COc1cc(CNc2cc(C(=O)N(C)C)ccc2OC)ccc1C | 0.503483 |
CCSc1ccc(C(=O)N2CCC[C@H]2c2ccc(C(=O)NC)s2)s1 | C[C@H](NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O)c1ccco1 | 0.609221 |
COc1ccc(F)cc1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 | CC[C@@H](C)N(Cc1ccncc1)C(=O)Nc1cc(OC)cc(-n2cnnn2)c1 | 0.626819 |
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 | COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4[nH]c(C)cc4C)C3)cc2)c1 | 0.645195 |
O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)N1CCc2ccccc2C1 | OCC[C@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 | 0.587284 |
C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OCC | Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1N1CCOCC1 | 0.601075 |
CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O | O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCO2 | 0.520047 |
CCCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(CC)CC)cc1 | O=C1CCCCN1CSc1nnc(C2CC2)n1Cc1ccco1 | 0.640163 |
COc1ccc(Cl)c(NC(=O)c2sccc2SC(F)F)c1 | O=C1/C(=C/c2cccc(O)c2)N=C(S)N1Cc1ccco1 | 0.512472 |
CN(C)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1 | O=C1N[C@@H]2COC[C@H]1CN(c1ncc(C(F)(F)F)cc1Cl)C2 | 0.524775 |
Cn1cccc1C(=O)NC(=O)COC(=O)C1=NNC(=O)CC1 | O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3cc(N4CCCC4)nc(N4CCCC4)n3)o2)cc1 | 0.510567 |
Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCC[C@H]2CO)CC1 | O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)[C@@H]1CCCO1 | 0.574566 |
CCCN1C(=O)N/C(=C/c2cc(Br)ccc2OC)C1=O | COC(=O)CCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 | 0.550756 |
COc1ccc(C[C@@]2(CCC(=O)NC[C@H](c3ccccn3)N3CCOCC3)CCC(=O)N2)c(F)c1 | CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 | 0.556284 |
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1ncc(Cl)c(Cl)c1=O | O=C(N[C@H]1CCC[C@H]1Cn1cc(CCCO)nn1)c1ccncc1F | 0.542519 |
O=C(Nc1ccccc1Cl)N1CC[C@@H]2CNS(=O)(=O)[C@@H]2CC1 | Cc1csc2nc(CSc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)cc(=O)n12 | 0.572623 |
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