p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
O=C(c1cccc(Cl)c1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 | CNc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 | 0.664577 |
COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)c1 | COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1CN1CCCC1 | 0.510352 |
C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1 | O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 | 0.307794 |
CCC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 | Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)NCc3ccc4c(c3)OCO4)nc21 | 0.662447 |
Cc1nc(CCN)cc(N(Cc2nccn2C)C2CC2)n1 | Cc1ccccc1O[C@@H](C)C(=O)NCc1cccnc1 | 0.374687 |
O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc([C@H]3COc4ccccc4O3)nn12 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2Cl)cc1 | 0.60303 |
O=C(Cc1c(Cl)cccc1Cl)N[C@@]1(C(=O)O)CCOC1 | Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1C | 0.483315 |
Cc1n[nH]cc1CNC(=O)[C@H]1COc2ccccc21 | C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl | 0.338501 |
O=C(NOCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 | CCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 | 0.388807 |
COc1ccc([C@@H]2CNc3[nH]nc(O)c32)cc1 | NC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 | 0.466216 |
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4)ccn3n2)cc1 | CCOC(=O)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 | 0.501114 |
CCc1nn(C)c(CC)c1CC(=O)N1CCCCC[C@@H]1C | C#CCn1c(C)c(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 | 0.492408 |
CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCc2ccccc2Cl)c1 | CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 | 0.4 |
c1cnnc(N2CCC[C@@H]2CNCc2cc3ccccc3o2)c1 | Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ccc1F | 0.409594 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1Cc2ccccc2C2(CCC2)C1 | CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1N | 0.623444 |
CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)CCc2cccs2)CC1 | Cc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cc1C | 0.491991 |
CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2)S1 | O=C(Cn1ccc2ccccc21)N[C@H]1COC[C@H]1Oc1cn[nH]c1 | 0.545078 |
N#Cc1ccccc1CSCCNC(=O)Nc1cccnc1 | Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 | 0.31016 |
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 | COc1cccc(CCC(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)c1 | 0.470651 |
Cc1nc(CN2CCC[C@H](C(=O)c3ccccc3)C2)co1 | N#CCCNC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 | 0.389417 |
COc1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1 | O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | 0.417062 |
O=c1[nH]c(CSc2ncccn2)nc2sc3c(c12)CCCC3 | CCN(Cc1nc(COC)no1)C(=O)c1cccnc1N1CCOCC1 | 0.620293 |
O=C(NCc1ccc(Cl)cc1)NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 | O=C(c1ccccc1Oc1ccc(F)cc1)N1CC[C@H](N2CC(O)C2)C1 | 0.470944 |
CS(=O)(=O)c1ccccc1[C@H](N)c1ccccc1 | C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 | 0.304698 |
Cc1c(C(=O)N2CC3(CCNCC3)C[C@@H]2C)cnn1C1CCOCC1 | C[C@H](NCCn1cccn1)C(=O)N1CCCC1 | 0.350832 |
CN1CCN(CC2CCN(C(O)=Nc3nc4c(s3)COCC4)CC2)CC1 | CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(F)cc1 | 0.459977 |
Cc1nc(N(C)C)ncc1C(=O)N(C)[C@H](C(=O)O)c1cccnc1 | OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 | 0.604167 |
C[C@@H]1CN=C(Nc2cccc(F)c2)S1 | O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccnn1C[C@@H]1CCOC1 | 0.294404 |
O=S1(=O)N(Cc2nnc(C3CCC3)o2)c2ccccc2N1Cc1nnc(C2CCC2)o1 | Cc1cc(Br)ccc1NC(=O)c1ccco1 | 0.385256 |
CC[C@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 | Cc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 | 0.510753 |
CCc1ccccc1-n1c(SCC(=O)NCC(C)C)nnc1-c1cccnc1 | COc1cccc2c1OC[C@H](C(=O)N(Cc1cnn(C)c1)C1CCCCC1)C2 | 0.615142 |
O=C(O)c1cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2o1 | CCOc1ccc(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 | 0.45993 |
CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1NC(C)=O | Brc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 | 0.335598 |
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1cccc2ccccc12 | O=C(c1ccc(O)nc1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1 | 0.533792 |
CNC(=O)c1cc(C2CCNCC2)n[nH]1 | Cc1ccc(CN2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 | 0.352439 |
CC(C)n1nc(CN2CCCC2)c2c1CN(C(=O)NCc1cccc(F)c1)CC2 | COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2 | 0.589247 |
CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cccc(C#N)c1)C2 | COc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)c(C)n1 | 0.520307 |
Cc1ccc(O[C@H](C)C(=O)NCC2CCCCC2)cc1C | CCOC(=O)Cc1nnc(SCC(=O)NCc2ccc(C(=O)OC)cc2)n1Cc1ccccc1 | 0.339736 |
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OCC)CC1 | O=C(O)C[C@@H](NC(=O)c1cccc2c1OCO2)c1ccc(F)cc1 | 0.558887 |
CCOc1ccc(C)cc1S(=O)(=O)NC1(CC(=O)O)CC1 | N#Cc1c(N)cc(N)nc1OC1CCCCC1 | 0.431034 |
O=C1C[C@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2)C(=O)N1Cc1ccncc1 | COc1ccc(CCNCC[C@H](C)CCC=C(C)C)cc1 | 0.25844 |
CCCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C | CN(C)Cc1ccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 | 0.37798 |
COCc1cc(NCc2cnc(Cl)s2)nc(C(C)(C)C)n1 | CC(C)CN(C)C(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 | 0.513369 |
O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(F)cc1F | O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCCOc2ccc(F)cc21 | 0.577342 |
COc1ccc(-n2c(C)n[nH]c2=O)cc1Cl | Cc1cc(C[C@@H]2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)C[C@H]2O)n[nH]1 | 0.405694 |
Cc1noc(C)c1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1 | CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 | 0.324706 |
Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)O | CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1 | 0.438323 |
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CCCC1 | C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 | 0.508969 |
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccs2)cc1 | COc1ccc(N2CCn3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nnc32)cc1 | 0.453725 |
Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 | O=C(Nc1cccc(NC(=O)c2nccc3ccccc23)c1)c1ccco1 | 0.425505 |
COc1ccc(NC(=O)NOCc2ccccc2)cc1F | Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1n[nH]c(=O)[nH]c1=O | 0.353617 |
CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 | COc1cc2nc(CN3CCN(C(C)C)CC3)[nH]c(=O)c2cc1OC | 0.449292 |
CN(C)C(=O)[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCO1 | CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 | 0.303178 |
Cc1c(NC(=O)c2cc3ccccc3o2)c(=O)n(-c2ccccc2)n1C | CN(C)[C@H]1[C@H](Nc2cncc(C(=O)O)n2)[C@@H]2CCO[C@@H]21 | 0.629478 |
Cn1c(SCc2ccccc2F)nnc1-c1ccc2c(c1)OCCCO2 | Cc1nn(C(C)(C)C)c(C)c1/C(O)=N/S(=O)(=O)c1cc(Cl)ccc1Cl | 0.557917 |
C/N=C1/S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N1C | O=S(=O)(NCc1ccc(Oc2nccs2)cc1)c1ccc(F)c(Cl)c1 | 0.47619 |
Cc1cnc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)s1 | O=C(CCS(=O)(=O)C1CCCC1)Nc1ccccc1 | 0.292273 |
Cn1nccc1CCC(=O)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 | O=c1ccn2c(n1)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]12 | 0.638831 |
CCc1ccccc1NC(=O)CSc1nnnn1CC | Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 | 0.420705 |
CCOC(=O)N1CCC(N2CC[C@H]3CNC[C@H]32)CC1 | C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21 | 0.361863 |
CCc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 | CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[C@H](C)CC | 0.624384 |
CN(C)C(=O)c1cncc(-c2ccc(F)c3c2O[C@H](CN)C3)n1 | CC(C)(C)n1ncc(NC[C@H](O)c2ccc(F)c(F)c2)c(Cl)c1=O | 0.593521 |
Cc1cnc(C)c(N2CCN(C(=O)c3cccc([C@H]4CCCNC4)c3)CC2)n1 | C[C@@H]1CCCN1Cc1cccc(-c2ccc(=O)n(C)c2)c1 | 0.448655 |
O=S1(=O)C/C(=N\Nc2ccccc2)c2ccccc21 | CSc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCc2ccccc21 | 0.50291 |
Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 | CCn1ccc(-c2ccnc3nc(C(=O)O)nn23)n1 | 0.510337 |
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1 | Cc1cccc(C[C@@]2(CO)CN(C(=O)CCCc3cn[nH]c3)CCO2)c1 | 0.435867 |
CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C[C@H]1CCCO1 | CN1CC[C@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)c2ccccc21 | 0.508677 |
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cnn1-c1ccccc1 | CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)CC1 | 0.631474 |
CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 | COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1c(C)cccc1C | 0.422306 |
Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)S(C)(=O)=O | CO[C@H](C)c1nsc(N2CCC[C@H]2c2nc3ccccc3s2)n1 | 0.533054 |
O=C(c1ccc2c(c1)CCCO2)N1CCn2nc([C@@H](O)C3CC3)cc2C1 | COC[C@@H]1CN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CCO1 | 0.437158 |
COc1ccccc1CN(CCO)C(=O)Nc1ccc(=O)n(C)c1 | O=C(CNc1cc(F)ccc1-n1cccn1)NCc1ccco1 | 0.491124 |
Cc1csc(-c2cccc(NCCCc3cnccc3C)c2)n1 | O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc2cccc(F)c2o1 | 0.47433 |
COC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1 | COc1c2c(cc3c1[C@H](CC(=O)CC(C)=O)N(C)CC3)OCO2 | 0.586466 |
COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 | CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 | 0.325069 |
O=C(c1ccc[nH]1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 | C[C@H]1CCCC[C@H]1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 | 0.381271 |
COc1nc(CSc2nnc(CCO)n2C)sc1C | Brc1ccc(C2(NCCC3OCCO3)CC2)cc1 | 0.311772 |
COCCCO/N=C(/N)c1ccc(N2CCCCC2)nc1 | COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 | 0.409524 |
O=C(O)CCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 | CN(CCc1ccccn1)[C@H]1CCCN(c2cccc(F)c2)C1=O | 0.268398 |
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2ncnc2N1 | Cc1ccc(C(C)(C)CN(C)C(=O)[C@H](C)N)cc1 | 0.329498 |
CN(Cc1ccccc1N1CCCC1)C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O | Cc1noc(Cn2nc(C)c([C@@H]3COCCN3C)c2C)n1 | 0.657576 |
C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC | CCC(=O)Nc1ccccc1-n1ccc(C(=O)O)n1 | 0.542857 |
Nc1ccn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]ccc3c2)CC1 | 0.360902 |
CC[C@H]1CCCCN1CCCNS(=O)(=O)c1nnc(NC(C)=O)s1 | COc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 | 0.492486 |
Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3O)oc2c1 | C=CC(=O)N(C1CCC2(CCCC2)CC1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 | 0.541215 |
C[C@H]1CNCCN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O | CC(C)(C)c1cc(CNC(=O)C2CCN(Cc3ccco3)CC2)[nH]n1 | 0.478161 |
CC[C@H](COC(=O)c1ccc(N)cc1)NC(CC(C)C)CC(C)C | CC(=O)c1ccc(Br)cn1 | 0.240964 |
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2 | Cc1c[nH]cc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 | 0.462656 |
NC(=O)[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)c2ccccc21 | CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)CCc2ccnc(C)n2)C1 | 0.61483 |
NC(=O)Nc1cc(F)c(F)cc1I | CCn1c(CN2CCCC2)nnc1C1CCN(S(C)(=O)=O)CC1 | 0.263852 |
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 | CC(C)c1ccccc1NC(=O)CCc1ccccc1 | 0.326503 |
O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | COc1ccccc1N1CCN(C(=O)c2cn(CC(C)C)cc(C(=O)NC3CCCC3)c2=O)CC1 | 0.625135 |
COc1cccc(NC(=O)CCc2cc(OC)cc(OC)c2)c1 | COc1ccccc1[C@@H](CN[C@H]1CCC(=O)N(C)C1)N1CCCCC1 | 0.388186 |
Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCC(C)CC1 | Cc1cccc(-c2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 | 0.349776 |
O=C(NC[C@@H]1CCCCO1)c1n[nH]cc1-c1ccncc1 | C#CC(C)(C)N1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 | 0.298146 |
O=C(NC[C@H](OCCO)c1ccsc1)C1CC1 | O=C(Cc1noc2ccccc12)N(Cc1ccc(F)cc1)C1CC1 | 0.350394 |
Cc1ccc(-c2cc(CN3CCC4(CC3)NC(=O)C[C@@H]4C(=O)O)on2)cc1 | C[C@@H]1Cn2c(nnc2-c2ccccc2Cl)S1 | 0.527412 |
CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ncccc2c1=O | C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)S1 | 0.692938 |
Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1NC(=O)c1ccccc1 | Cc1nc2c(c(N3C[C@H]4CN(S(=O)(=O)c5c(C)noc5C)C[C@@H]4C3)n1)CCC2 | 0.554382 |
CCCn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)ccc1=O | COc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C)C2 | 0.611399 |
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