p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
COc1cnc(NS(=O)(=O)c2sccc2OC)nc1 | Cc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)n2C)cc1 | 0.380552 |
C[C@H](NC(=O)Nc1ccncc1)C(=O)NC(C)(C)C | C[C@H](C(=O)N1CCC2(CCOCC2)[C@H]1C)c1ccccc1 | 0.290221 |
COc1c2c(c(OC)c3ccccc13)[C@H]1CC[C@H]2C=C1C | COCCC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 | 0.340314 |
COc1c(C(=O)O)cc(-c2ncnc3[nH]ncc23)c(OC)c1OC | Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Br | 0.400662 |
CCOC(=O)[C@]1(CCC(=O)OC)CCc2ccccc2C1=O | CNC(=O)C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 | 0.438339 |
Cc1nn(C)c2ncc(CNCc3ccccc3OC(F)(F)F)cc12 | CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2O)cc1 | 0.380835 |
Cc1noc([C@H](C)S(=O)(=O)Cc2cccc(Cl)c2)n1 | O=c1c2cc(Cl)ccc2cnn1[C@@H]1CCCOC1 | 0.41687 |
CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cccc(O)c2)CCO1 | CCn1nc(C)c(CCNC(=O)c2csc(C(C)=O)c2)c1C | 0.597737 |
CNS(=O)(=O)c1ccc(NC[C@@H](C2CC2)N(C)C)c([N+](=O)[O-])c1 | Cn1c(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc(=O)n(C)c1=O | 0.556898 |
Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1Cl | O=C(Nc1ccccc1O)c1c[nH]nc1-c1cccc(Cl)c1 | 0.451456 |
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)NC2=S)c(C)c1 | Nc1c(C(=O)Nc2cccc(F)c2)nnn1Cc1cccc(F)c1 | 0.605839 |
CCC1(CC)C(=O)NC(=NCCO)NC1=O | Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC(C)C4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 | 0.341518 |
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1cccc(F)c1 | N#Cc1c(Cl)ncc(C=O)c1Cl | 0.3 |
C/C=C/C(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C | COc1cc(F)ccc1N(C)C(=O)c1ccc(C(=O)O)s1 | 0.413636 |
NC[C@@H](c1cccs1)N1CCc2ccccc21 | Cc1nc2ccc(C(=O)NCCC3CC3)cc2n1C | 0.440898 |
CCN1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 | CC(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 | 0.556442 |
CCN1C(=O)c2cccc3c(NC(=O)c4ccno4)ccc1c23 | O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1ccc(-c2ccccc2)cc1 | 0.399297 |
CC(C)Oc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 | CN(C)/C=C/C=C/C=C/C(=O)[C@H]1CCC/C(=C\C=C\C=C\N(C)C)C1=O | 0.248132 |
CCCCNC(=S)N/N=C(\C)c1ccc(C)cc1 | COC(=O)c1cc(Cl)ccc1C(=O)C(C)(C)C | 0.292683 |
Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 | Cc1c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)oc2ccccc12 | 0.583333 |
O=C([C@H]1CC=CCC1)N1CCC[C@H](CN2CCCCCC2)C1 | Cc1ccc(CN(C)C(=O)Cn2cnc(C#N)n2)o1 | 0.223373 |
O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccccc1[N+](=O)[O-] | Cc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1S(N)(=O)=O | 0.743326 |
C=CCN(Cc1ccc(F)cc1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O | CSCc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1 | 0.430639 |
CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccc2)[C@@]1(C)O | CC(C)[C@@H](O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 | 0.398325 |
Cc1cccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 | CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 | 0.591387 |
C#CCOc1ccc(/C=N\O)cc1Br | CC[C@@H](C)N(C)CCNC(=O)Nc1cccc(C#N)c1 | 0.234165 |
CC[C@H](NC(=O)CCc1nc[nH]n1)C12CC3CC(CC(C3)C1)C2 | CCN(CC)S(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 | 0.293706 |
CCCN(C(=O)CNC(=O)CC(C)(C)C)[C@H]1CCN([C@H]2CCN(C)C2=O)C1 | Cc1ccccc1OCC(=O)N[C@H](CC(=O)O)c1ccc(Cl)c(F)c1 | 0.304527 |
Cc1nonc1C(=O)NCC(=O)N1CCC([C@H](O)CO)CC1 | O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1F)n1ncnc1N2 | 0.456853 |
C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@H]1C | O=C1C[C@H](N2C(=O)[C@H]3CCCN3C2=O)CN1c1ccccc1Cl | 0.546416 |
Cc1cc(NC(=O)C#CC2CC2)cn2ccnc12 | N/C(=N/Cc1ccc(CO)c(F)c1)N1CCOCC1 | 0.273256 |
C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)C(=O)N(C)C | CCc1n[nH]c(SCC(=O)c2cccn2C)n1 | 0.341207 |
CC(C)CN1CC[C@H](CNC(=O)c2ccc(NCCO)nc2)C1 | Cc1n[nH]c(NC(=O)CNC(=O)/C=C/c2ccccc2)c1C | 0.357836 |
COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1ccc3c(c1)CCC3=O)CC2 | C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H]1c1ccsc1 | 0.558061 |
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCCn1ccnc1 | Cc1occc1-c1nnc(SCCNCCO)n1-c1ccccc1 | 0.534984 |
C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1F | CCN1CCN([C@@H](c2ccco2)c2sc3ncnn3c2O)CC1 | 0.612371 |
CN(Cc1nc(O)c2ccccc2n1)[C@@H]1CCC(C)(C)C1 | O=C(O)c1cc(-c2ccc(F)c(Br)c2)n[nH]1 | 0.339947 |
O=C1CC[C@H](NCc2cccc(C(=O)N3CCCCC3)c2)C2(CCC2)N1 | Cc1cnc([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)s1 | 0.465116 |
CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(OC)c(F)c1 | CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC)cc1 | 0.43465 |
c1ccc(-c2nccc(N3CCC(OC[C@@H]4CCCCO4)CC3)n2)cc1 | CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 | 0.467869 |
COc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 | C[C@@H]1CCCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 | 0.299553 |
C[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O | Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] | 0.594963 |
CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 | CCN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 | 0.431566 |
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1 | COCCN(C)[C@H]1CCCN(c2ccccc2)C1 | 0.34188 |
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 | COCCOCC(=O)N[C@@H]1C[C@@H]1c1ccccc1C | 0.379006 |
CC(=O)N[C@@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)C(C)C | C[C@@H](O)C(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 | 0.425303 |
O=C(Nc1nc2c(s1)CCC2)[C@H]1CC(c2ccc(Cl)s2)=NO1 | CN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)C1CCCCC1 | 0.621118 |
O=C(c1ccsn1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 | COc1ccc(CCCC(=O)Nc2ccc(C)cc2C)c(C)c1 | 0.373626 |
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2sccc2Cl)C1 | Cc1cc(N)nc(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 | 0.395702 |
O=C1c2ccccc2-c2nnc(N3CCC(Cc4cnc[nH]4)CC3)cc21 | CN(C)C(=O)CNc1ncnc2cc(-c3ccc(Cl)cc3)sc12 | 0.631027 |
Cc1cc(C)n(C[C@H](C)NC(=O)COCC(=O)N[C@@H](C)Cn2nc(C)cc2C)n1 | Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C(F)(F)F)O2)c(=O)[nH]c1=O | 0.413998 |
CC(C)CCn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O | CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(CC(C)(C)C)C3)ccc12 | 0.568501 |
Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H]2c2ccncc2)n1 | C[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)[C@@H]1C(=O)O | 0.520386 |
C[C@H](O)[C@@H](N)C(=O)NCc1cc2ccccc2[nH]1 | NC(=O)c1cc(NC(=O)c2cc(Cl)c[nH]2)ccc1F | 0.339189 |
CCOC(CN(C)Cc1ccc(Cl)cc1)OCC | O=C(O)[C@]12COC[C@H]1CN(Cc1cc(C3CCCCC3)no1)C2 | 0.231081 |
CN(C)c1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1 | O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(F)cc1F | 0.553684 |
CC1(C)C[C@@H](NC(=O)CCn2nnnc2-c2ccc(Cl)cc2)c2ccccc2O1 | O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCc3ccccc3C2)cc1 | 0.543384 |
C[C@H](NCc1nc(CS(C)(=O)=O)no1)c1ccc(F)c(Cl)c1 | COC(=O)c1[nH][nH]c(=NC(=O)N2CC3(CCCC3)C2)c1C | 0.414035 |
O=C(C1CCC1)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CC4)nn3c(O)c2C1 | CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(C)on1 | 0.731658 |
COC(=O)C[C@@H](NC(=O)c1ccn(C)c1)c1ccccc1Cl | COc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 | 0.509709 |
COC(=O)c1ccc(NC2(C#N)CCN(C(=O)OCc3ccccc3)CC2)cc1 | c1ccc([C@H]2CCN[C@@H]3CCCCN(Cc4cccnc4)[C@H]23)cc1 | 0.415829 |
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccccc1 | O=C1C[C@@H]2C=C[C@](CNC(=O)OCc3ccccc3)(C1)O2 | 0.447552 |
O=C(O)C1(O)CN(S(=O)(=O)C2Cc3ccccc3C2)C1 | CC[C@H](OC)C(=O)Nc1cccc([C@@H](C)C(=O)O)c1 | 0.352617 |
Cc1cccc(OCc2cn(CC(=O)NCc3cccnc3)nn2)c1 | CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 | 0.455388 |
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 | Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)o2)c1 | 0.454754 |
Cc1cc(C)nc(CC2CCN(c3cnccn3)CC2)n1 | COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CCN(Cc1ccccc1)CC2 | 0.428875 |
COC(=O)CCCn1c(C)cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C | CC(=O)Nc1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 | 0.557235 |
Cc1ccc([C@H](NC(=O)C(C)(C)N2CCOCC2)c2ccncc2)cc1 | CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl | 0.462567 |
COC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 | CCc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 | 0.492027 |
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)nc1C | Cc1nc(O)nc(C)c1CCC(=O)N1CCCN(C(=O)CCn2cccn2)CC1 | 0.524723 |
Cc1cccc(CCCNC(=S)Nc2c(F)cccc2F)c1 | Cc1ccc(C)n1-c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C | 0.34981 |
CS(=O)(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 | C[C@@H](NC(=O)N1CCC1)c1ccc2nc(C3CC3)[nH]c2c1 | 0.470975 |
O=C(CO/N=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cnn3ccccc23)cs1 | 0.392252 |
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O | CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 | 0.472643 |
CCN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)c1cccnc1 | CCN(CC)CC(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)NC1CC1 | 0.509761 |
Cn1cccc1[C@H]1COCCN1C(=O)CSc1ccncc1 | O=C(O)[C@@]12CN(CCO)C[C@@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 | 0.467145 |
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCCC1 | CCn1cc(CC(=O)N[C@H](C)c2cncc(F)c2)cn1 | 0.432768 |
Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCCNC3=O)n2)cc1C | O=C([C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@@H]1CCN1CCCC1 | 0.512027 |
CC(C)C[C@@H](C(=O)Nc1cccc(NC(=O)C(C)C)c1)N1CCCCC1=O | O=C(C1CCC1)N1CCC[C@@H](Oc2ccncc2Cl)C1 | 0.384615 |
O=C(NCc1ccc2c(c1)OCCO2)N1CCC(Nc2cccnn2)CC1 | COCCN1CCC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1=O | 0.416988 |
C=CCN(CC=C)C(=S)NC(=O)c1cccc(C)c1 | CC(=O)N1CCCN([C@@H]2CN(C(=O)C3=CCCCC3)C[C@@H]2C)CC1 | 0.256489 |
CCS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 | O=S(=O)(N1CCOCC1)N1CCCN(c2nccc(N3CCC[C@@H](O)C3)n2)CC1 | 0.322418 |
O=C(COC(=O)Cc1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)OCCCO2 | Cc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCC2)cc1C | 0.41094 |
COc1ccc(CCC(=O)Nc2cccc(-n3cnnc3C)c2)cc1Br | c1ccc(-c2n[nH]c(SCCN3CCCCC3)n2)cc1 | 0.32175 |
CC(C)c1cccc2sc(NCc3cccnc3)nc12 | COCCCCCn1ncc2ccc([N+](=O)[O-])cc21 | 0.415854 |
O=C1Cc2cncc(Br)c2N1 | CC[C@H](Oc1ccccc1)c1nc2ccccc2n1CC | 0.377171 |
Cc1cc(-c2nc(-c3cnc4cnccn34)no2)c2cnn(C(C)C)c2n1 | CN(C)CCN[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O | 0.384858 |
Cc1nnsc1CN(C)C(=O)CN1C(=O)CCNC1=O | Cc1ccccc1OCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 | 0.455378 |
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | CSc1ccc2c(C)cc(N[C@H](C)Cn3cccn3)nc2c1 | 0.470917 |
O=C(CN1CCN(Cc2ccc[nH]2)CC1)Nc1ccccc1Cl | C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O | 0.397297 |
O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCCC1=CCCCC1 | COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2C)cc1 | 0.493506 |
C#CCCC1(CCC(=O)N2CC3(CCC3)[C@](F)(C(=O)O)C2)N=N1 | COCCn1ccnc1CN1CCC2(CC1)OCCc1cc(OC)ccc12 | 0.53915 |
CCN1CCC[C@H]1CN(Cc1ccccc1F)C(=O)c1nc2ccccc2n(C)c1=O | COc1cc2c(cc1OC)NC[C@H](C(=O)O)C2 | 0.506383 |
Cc1cc(NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)ncn1 | O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 | 0.402036 |
CNC(=O)c1ccn([C@H]2CCCN(c3ncnc4c3ncn4C3CC3)C2)n1 | CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 | 0.58781 |
Cc1ccccc1CNC(=O)CN1CCC[C@@]12CCCN(C(C)C)C2=O | Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cc1-n1cnnn1 | 0.478368 |
COc1cccc(OC)c1CC(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 | COc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1 | 0.301913 |
NC(=O)N[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1 | Cc1ccc(=O)n(CC(=O)NCCCn2cc(Cl)cn2)n1 | 0.391941 |
CN(C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cn(C)c2ccccc12 | CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1c(F)cccc1Cl | 0.512907 |
O=C1N/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccccc1 | O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1n[nH]cc1Cl | 0.483616 |