p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 | CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)s1 | 0.485908 |
CCc1onc(C)c1C(O)=Nc1cn(C)cc(Br)c1=O | COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1 | 0.531042 |
Nc1ccnc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 | Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccccc4C)CC3)n2)cc1 | 0.473262 |
CC(C)(C)OC(=O)[C@H]1C[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](O)C1 | Cc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 | 0.279104 |
Cc1noc(CCN[C@H](C)c2sccc2C)n1 | O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c12 | 0.435281 |
CO[C@@H](CNC(=O)CCc1ccccn1)c1cccc(Cl)c1 | Cc1nc(-c2ccc(C(=O)N[C@@H]3CCOC3(C)C)cc2)n[nH]1 | 0.398111 |
CCN(CC)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 | COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1 | 0.595855 |
COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O | O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 | 0.416577 |
CN(Cc1cnc(SCc2ccccc2)nc1)[C@H]1COC[C@@H]1O | CC(C)CN1C(=O)CCc2cc(OCCC(=O)O)ccc21 | 0.367374 |
CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 | Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 | 0.453358 |
C#CCOc1ccc(Br)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O | C[C@H](OCC(F)(F)F)C(=O)NC1CCN(c2ccccc2)CC1 | 0.348276 |
COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC | Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc2n1CCOC2 | 0.457607 |
COc1cc2cc(C(=O)N[C@@H](CO)CCSC)n(C)c2cc1OC | O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)C(=O)Nc1ccccc1 | 0.504484 |
C[C@](O)(CNC(=O)C1(c2cccs2)CCCC1)c1cccs1 | OCC#Cc1ccc(-c2cccnc2)s1 | 0.35213 |
N#CCN1CCc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc21 | Cc1noc([C@@]2(C(F)(F)F)CCN(C(=O)c3cnc(O)n(C)c3=O)C2)n1 | 0.530697 |
CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 | O=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1CC12CCCC2 | 0.564995 |
COc1ccc(Cl)cc1NC(=O)Nc1cc(N2CCOCC2)ncn1 | COc1ccc(Cl)cc1CN1CCN([C@@H](C)c2nnc(C)o2)CC1 | 0.44798 |
O=C(CNC(=O)N1CCN(c2ccccn2)CC1)Nc1ccccc1 | CO[C@@]12[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H]1C[C@@H]2c2ccccc21 | 0.339926 |
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](CC)C2 | O=C(CCc1ccc(O)nn1)N1CCN2[C@@H](COC[C@@H]2c2ccccc2)C1 | 0.582199 |
O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccnn1CC1CC1 | CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)Cn2ccnc2)cc1 | 0.404959 |
O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCCc2ccccc21 | CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cnn(C)c1 | 0.508197 |
CC[C@@H](C(=O)NCC(=O)N1CCCC1)N(C)CC | O=[N+]([O-])c1cc(Cl)cc([C@@H]2N=C(c3ccccc3)NO2)c1O | 0.232164 |
CC[C@](C)(C(=O)C[C@H]1C(=O)O[C@](C)(O)[C@@H]1C)C(=O)OC | O=C(c1cc[nH]n1)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1 | 0.412186 |
COc1ccc(CN(Cc2cc3ccc(F)cc3nc2N(C)C)C(=O)[C@@H]2CCCCN2C)cc1 | O=C(CCc1ccco1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 | 0.476872 |
Cc1ncc(C(=O)N2CCCC[C@@H]2C(F)F)c(O)c1Cl | O=C([C@@H]1CN(Cc2ccc(F)cc2)CCO1)N1CCCCC1 | 0.416667 |
CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 | O=C(CO[C@@H]1CN(CC2CC2)Cc2cccn2C1)N1CCCC1 | 0.411408 |
COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1Cl | O=C1NC2(CCCC2)C(=O)N1CCc1noc([C@@H]2C[C@H]3CC[C@H]2O3)n1 | 0.547492 |
CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)=O | Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C | 0.49948 |
Cc1cc2nc(C3CCN(Cc4cccn4-c4cccnc4)CC3)cc(N)n2n1 | O[C@@]1(CNCc2ccc(-c3ccccn3)nc2)CCc2cc(F)ccc21 | 0.605739 |
O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 | Cc1ccc(NC(=O)N2CCCC[C@@H]2C(C)C)cc1S(C)(=O)=O | 0.313725 |
COc1ccc(S(=O)(=O)NC(=O)c2cc3nc(C)ccc3o2)c(C)c1C | CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(=O)[nH]1 | 0.685279 |
Cc1ccc(CC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 | COc1cc(/C=N/O)c(SC)cc1OC | 0.287145 |
C[C@@H]1CN(C(=O)c2ccc(CNCc3cncn3C)cc2)C[C@@H](C)O1 | CN(C)c1nc(N)nc(COC(=O)Cc2cccc(F)c2)n1 | 0.33864 |
O=C(Nc1cc(Cl)ccc1Cl)ON=C1CCCCC1 | CCc1ncsc1NC(=O)c1ccn(-c2c(F)cccc2F)n1 | 0.316486 |
O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)[C@H]1COc2ccccc2O1 | CC(C)CC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 | 0.579003 |
COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 | Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3cccc(F)c3)cn12 | 0.5054 |
O=C(NCCCN1CCCC1=O)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 | COc1ccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 | 0.483978 |
C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1 | O=C(c1csc(-c2ccccc2)n1)N1CCN(C[C@H](O)c2ccccc2)CC1 | 0.491749 |
CC(C)n1ccc2c(NC(=O)CNc3nc(Cl)nc4[nH]cnc34)cccc21 | COc1ccc(CCNc2ccnc(C3CC3)n2)cc1 | 0.401176 |
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(Cc2cccc(O)c2Cl)CC1 | Cc1noc(CN2CCN([C@@H](C)C(=O)NC(C)C)CC2)n1 | 0.363109 |
CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 | COc1ccccc1C1(CNC[C@H](OC)[C@@H]2CCOC2)CCCC1 | 0.45 |
CCOCc1nc(Cc2cccc(OC)c2)n(C(C)(C)C)n1 | CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1 | 0.397277 |
CCCCn1c(N)c(N(C)CCC(C)C)c(=O)[nH]c1=O | CCCC1(CNC(=O)NCCc2nnc3n2CCC3)CC1 | 0.409739 |
CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O | Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O | 0.448931 |
CN(C)c1ncc(NC(=O)Cc2ccc(Cl)cc2)c(N(C)C)n1 | CC(C)n1cnnc1CCNc1ncc(C#N)cc1Cl | 0.3891 |
c1ccc(CN2CC[C@@H](CCNc3ncccn3)C2)cc1 | O=C(c1csnn1)N1C[C@@H]2CCN(CC3CC3)C[C@H]2C1 | 0.375635 |
COc1cccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c1O | Cc1cc(N2CCc3cnc(C(C)C)nc3C2)n2ncnc2n1 | 0.644585 |
Cc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)[nH]n1 | Cc1ccc(C(=O)N2CCCn3cnc(CNS(C)(=O)=O)c3C2)o1 | 0.62302 |
Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc(F)c1 | O=C1NC(=O)C(=CNc2ccc(F)c(Cl)c2)C(=O)N1 | 0.393665 |
COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 | CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)nc1 | 0.410891 |
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C | O=S(=O)(CC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2)c1ccccc1 | 0.574227 |
C[C@H](OC(=O)CSc1nnnn1C)c1cnc2ccccc2c1 | O=C([C@H]1C[C@H]1c1ccco1)N(CCN1CCOCC1)c1ccccc1 | 0.411085 |
COc1ccccc1NC(=O)/C=C(\C)c1c(C)nc2c(OC)cccc2c1O | COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 | 0.514917 |
CC(=O)c1ccc(NC(=S)N2CCCSc3ccccc32)cc1 | O=C(CCSc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 | 0.392458 |
COC(=O)c1cccc(NC2CCN(C(=O)c3cn[nH]c3C)CC2)c1 | O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1CCCC1 | 0.493622 |
CCOc1ccccc1-c1nc(-c2cc(C)nc3ccccc23)no1 | C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)OCCO2 | 0.517202 |
CN(C)C(=O)c1cc([C@H]2CN(C(=O)Cc3ccccn3)CCO2)nc2ccccc12 | CC[C@@H](c1nnnn1CCc1ccccc1)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O | 0.660297 |
CCn1cc([C@@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)c(C)n1 | COc1cccc(C[C@@H](C)NC(=O)[C@@H](O)c2ccccc2)c1 | 0.371837 |
CCO[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 | CC1=C(C(=O)N[C@@H](C)c2n[nH]c(C)n2)OCCO1 | 0.393404 |
O=C(N[C@@H](n1cnc2c(N3CCCCC3)ncnc21)C(Cl)(Cl)Cl)c1ccco1 | Cc1ccc2nc(C(=O)N3CCC[C@@H](OCc4cccnc4)C3)c(F)n2c1 | 0.655419 |
O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2 | O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1cccc(C(F)(F)F)c1 | 0.589357 |
N#Cc1c(NC(=O)CCSc2nnc(COc3ccccc3F)n2N)sc2c1CCCC2 | CCCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 | 0.716734 |
C[C@@H]1Oc2ccc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)cc2NC1=O | O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc2nonc12 | 0.432069 |
CCOC(=O)C1=C(COc2ccc(C#N)cc2)NC(=O)N[C@@H]1C | Cc1n[nH]c(C)c1NC(=O)CSCc1cc(-c2ccccc2)no1 | 0.443299 |
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C)CC2)[C@@H]1c1cccs1 | CC(C)(C)OC(=O)NCC1(C(=O)NCC(F)(F)F)CCCC1 | 0.345905 |
Cc1ccc(CSCCNC(=O)CN2CCSC2=O)cc1 | CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccsc1 | 0.300129 |
COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(C(=O)CC2CCCC2)CC1 | Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)C4CCC4)C[C@@H]23)cs1 | 0.529284 |
Cn1nc(C(=O)O)cc1OCC(=O)N1CCCC1 | CCOCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2ccccc21 | 0.456983 |
CCOc1ccc(C(=O)NCC(=O)N2C[C@]3(C)CN(C)C[C@]3(C)C2)cc1 | COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc21 | 0.425234 |
O=C(O)[C@H]1C[C@@H](C(=O)N2CCCC2)CN(Cc2ccccc2)C1 | CCCN(CCC)CC(=O)c1ccc(I)cc1 | 0.296703 |
COc1ccccc1NC(=O)c1ccsc1 | CCc1cc2c(cc1N1CCN(C3CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 0.387368 |
O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | Cc1ccn2c(CNC[C@@H]3CCCn4cc(C)nc43)cnc2c1 | 0.525164 |
O=C1C[C@@H](c2ccco2)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCCO4)C3=O)O1 | O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cccnc1 | 0.424339 |
CC(=O)Oc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 | COc1cc(CCNC(=O)N2CCN(CCO)CC2)cc(OC)c1 | 0.326232 |
COc1ccc(CCN2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1 | Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C2CCC2)c(C(N)=O)c1C | 0.514851 |
CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CCCCC1 | CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCCCCC2)c1C | 0.415116 |
Cc1nc2c3c(C)c(C)n(-c4ccccc4)c3ncn2n1 | O=C(NCCc1nc2ccccc2[nH]1)c1cc2c(o1)CCCC2 | 0.559662 |
CC(C)(NC(=O)c1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@]2(CCCCC(=O)N2)C1 | O=C(COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1)Nc1ccccc1F | 0.656379 |
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O | CCOC(=O)Cc1cc(F)c(F)c(OC)c1 | 0.408784 |
N#Cc1cccnc1SCC(=O)NCC(F)(F)F | COc1ccc([C@H]2CN(Cc3ccccc3OC)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 | 0.364608 |
Cc1ccc(C2=NN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)[C@H](c3ccco3)C2)o1 | Cc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1 | 0.544225 |
NC[C@H]1CCCC[C@]1(O)c1cccc(O)c1 | CC(=O)c1cc(C#N)c(SCC(=O)O)nc1C | 0.375162 |
O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 | O=C(NCCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 | 0.463751 |
Cc1cccc(Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c1 | O=C(O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 | 0.674797 |
O=C(NCCCOCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 | Cc1cccc(-c2cccc(CNC(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)c2)c1 | 0.398667 |
CCOc1ccc(-c2c(=O)n(OCc3ccc([N+](=O)[O-])cc3)c3ccccc3[n+]2[O-])cc1 | CC(C)OCCC(=O)N1CCC(c2ccccc2C(=O)O)CC1 | 0.419573 |
CS(=O)(=O)c1ccc(S(C)(=O)=O)c(C#N)c1 | C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc3c(c2)CCCO3)c1 | 0.319176 |
Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 | O=C(O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)nc2ccccn2c1=O | 0.632278 |
NC(=O)c1cnn2c([C@@H]3CCCCN3C(=O)c3ccccc3)ccnc12 | CCCn1c(CN[C@@H](c2ccccc2)c2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 | 0.680121 |
CN(C)C(=O)N1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 | O=C(CCc1ccc(F)cc1F)N1C[C@H](O)[C@@H](F)C1 | 0.342593 |
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)/N=c1\[nH]c2ccccc2s1 | O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1COCCO1 | 0.400415 |
Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)COc2ccccc2C)c(Cl)c1 | C=CCNC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C | 0.2448 |
CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 | O=C(Nc1cccc(Cn2cccn2)c1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 | 0.490374 |
Cc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cs1 | Cn1cc(-c2nc3cc(Cl)cnc3[nH]2)cc1C#N | 0.506579 |
CC(C)CCN/C(N)=N/C[C@H](O)c1ccccc1F | O=[N+]([O-])c1ccc(Cl)cc1OCc1nccn1CC(F)(F)F | 0.287879 |
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1 | Cc1nc(Cl)c2ccc(Cl)cc2n1 | 0.348921 |
Cc1cn(CCNC(=O)Cc2nc(C)sc2C)nn1 | COC(=O)c1cnc(N2CCC(C(=O)NCC(F)(F)F)CC2)c(S(=O)(=O)N2CCOCC2)c1 | 0.451128 |
COc1ccc(OC)c2c1s/c(=N\C(=O)C(C)(C)C)n2C | COC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 | 0.579618 |
Cc1cccnc1C(=O)N1CCC[C@]2(C1)CN(C1CCOCC1)CC[C@H]2O | O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccc(-n2ccnc2)cc1 | 0.395433 |
CCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 | CN1CC2(CN(C(=O)c3cccc(C#N)c3)C2)OC[C@H]1C(=O)N1CCCCO1 | 0.491765 |
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