p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CCc1ccc2oc(C(=O)NC3CC3)c(C)c2c1 | Cc1cc(-c2nn3c(-c4ccc(Br)cc4)nnc3s2)no1 | 0.504886 |
C[C@H](C(=O)NCc1ccc(-n2cncn2)cc1)n1cnc2ccccc21 | CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(N(C)C)cc4)C[C@H]32)c(OCC)n1 | 0.567422 |
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1 | Cc1cccc(CN2CCN(C(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H](C)C2=O)c1 | 0.535637 |
CCc1ccc([C@H]2CCCCCN2C(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)o1 | Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCCc2nnnn2C)C1 | 0.520856 |
O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)C[C@H]1Oc2ccc(Cl)cc2NC1=O | COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 | 0.661342 |
O=C(N1CCCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 | Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)sn1 | 0.502208 |
O=C(N[C@H]1CCOc2ccccc21)N1CCO[C@@H](c2cccc(Cl)c2)C1 | COc1ccc([C@@H](Nc2nc(=O)c3cn[nH]c3[nH]2)C(C)C)cc1 | 0.528409 |
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 | Cc1cnc2c(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cccc2c1 | 0.680238 |
CCOc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1C | Cc1csc([C@](O)(CC(=O)N[C@@H](C)Cn2cccn2)C(F)(F)F)n1 | 0.502227 |
O=C1NCCN(C(=O)[C@H]2CCn3ccnc3C2)[C@@H]1CC1CCCCC1 | O=C(Nc1ccccc1Cl)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 | 0.514351 |
CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1 | Cc1cnccc1N1CCCN(Cc2nn(C)c3cccc(Cl)c23)CC1 | 0.538968 |
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cnc2ccccc2c1=O | Cc1nc2ncnn2c(O)c1CCC(=O)Nc1ccc(Br)cc1F | 0.548807 |
O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 | Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc2c(c1)OCO2 | 0.537298 |
Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)C[C@H](c1ccccc1)CC3 | O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CCCC[C@H]1C1CCOCC1 | 0.519131 |
Cc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1nccn1C | CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 | 0.502193 |
O=C([C@@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCC(c2nc[nH]n2)CC1 | CC(C)c1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c2ccccc2n1 | 0.591295 |
COC(=O)c1sccc1NC(=O)c1cnn2c1OCCC2 | CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 | 0.621053 |
CC[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C | CCc1cc(NC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)nc(N2CCOCC2)n1 | 0.623679 |
CCCn1c(=O)n(CC(=O)NCCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 | COc1cccc(CNC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)c1OC | 0.546092 |
C=CCn1c(SCC(=O)N[C@H](C)c2cc(OC)ccc2OC)nnc1[C@@H]1COc2ccccc2O1 | O=C1C[C@H](CNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c2ccccc2N1 | 0.656025 |
Cc1cc(C)c([C@H](CC(=O)c2cccs2)C(C#N)C#N)c(C)c1 | COc1ccc(C=O)cc1Cn1c(=O)n(CCCC(=O)NCc2ccccc2)c(=O)c2sccc21 | 0.503099 |
COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccc(OC)c(C)c3)C1)O2 | O=C(O)c1cn(C[C@@H]2CC(=O)N(Cc3ccccc3)C2)nn1 | 0.524419 |
CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@H]12 | CCOC(=O)c1c(NC(=O)COC(=O)c2cnccn2)sc(C)c1-c1ccccc1 | 0.616822 |
CC[C@@H]1C=CCN1C(=O)c1ccc(C(C)=O)s1 | CC(=O)N1C(=O)[C@]2(Nc3cccnc3N2)c2ccccc21 | 0.511967 |
Cc1c(C(=O)N2CCN3CCNC(=O)[C@H]3C2)n(C)c2ccc(F)cc12 | O=S(=O)(c1cc(F)ccc1Cl)N(CC(F)(F)F)c1ccncc1 | 0.553571 |
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 | Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1C | 0.602881 |
Cc1cc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)no1 | Cc1cc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 | 0.553377 |
Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 | CCONC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 | 0.572181 |
Cc1csc(S(=O)(=O)N=[S@]2(=O)CCCN(C(=O)c3ncc(F)cc3F)CC2)c1 | CS(=O)(=O)c1cccc2sc(N3CCC[C@H](COc4cnccn4)C3)nc12 | 0.644016 |
Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1cncc(F)c1 | O=C(c1ccc2ncccc2c1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 | 0.522491 |
COc1cccc([C@H]2CCCN2C(=O)CSCC(=O)N2CCC[C@H]2c2cccc(OC)c2)c1 | COc1nc2c(cc1C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)C(=O)N(C1CCCC1)C2 | 0.521739 |
COc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4OC)C3)sc2C)cc1 | CCCn1ncnc1[C@@H](C)NC(=O)c1cccc(-c2nc(C)c(C)s2)c1 | 0.656217 |
C[C@@H](NC(=O)c1cc2sc(C(=O)O)cc2[nH]1)c1ccc(Cl)c(Cl)c1 | CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ncccn3)CC2)c1 | 0.51921 |
C=CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(C(=O)OCC)ccc21 | CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1noc2ccccc12 | 0.574015 |
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 | O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3CC[C@@H]1O[C@H]32 | 0.542973 |
Cc1nc2cc(CNC(=O)CC3CCN(C(C)C)CC3)ccc2n1C | Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCC3(C)COC3)C2)c1C | 0.513388 |
CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccccc1 | Cc1ccc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1Cl | 0.541387 |
O=C([C@H](Sc1ncn(-c2ccccc2)n1)c1ccccc1)N1CCOCC1 | Cc1nc(CC(=O)N2C[C@H]3OCCCCCCCCN(C)C(=O)c4ccccc4O[C@@H]3C2)cs1 | 0.594267 |
NC(=O)c1c[nH]c(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 | COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 | 0.530249 |
CCCCOc1ccc([C@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)N=C3N=CNN32)cc1 | CN(C)C(=O)N(C)[C@H]1CCN(c2cc(CO)cc(C(F)(F)F)n2)C1 | 0.649849 |
COc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1OC(C)=O | Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2n1 | 0.593521 |
COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 | CCOc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 | 0.583682 |
COc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1OC | C[C@@H]1CN2C[C@@H](NS(=O)(=O)c3cccc(Cl)c3Cl)C[C@H]2CO1 | 0.552549 |
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC | O=C(CCOCC(F)(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 | 0.546296 |
O=C(Nc1cccnc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 | O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(Cn2cccn2)cc1 | 0.500555 |
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCCC2 | COc1cccc(C2(C(=O)N3CC[C@@H]([C@H](C)O)C3)CCCC2)c1 | 0.602477 |
Cc1ccc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)cc1Cl | Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)n2nc(-c3cccs3)oc2=O)c1 | 0.511018 |
COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(C)C2 | CC1(C)Oc2c(Cl)cc(Cl)cc2NC1=O | 0.52492 |
CCc1nc([C@H]2CCCCN2C(=O)c2ccc(F)c3occc23)no1 | CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O | 0.572181 |
COC[C@@H]1C(=O)N(c2ccccc2)CC12CCN(C(=O)C(C)C)CC2 | COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2sc(C(C)C)nc2C)cc1OC | 0.519131 |
CCN(CC)Cc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 | CC(=O)Nc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)c2c(c1)nc(C)n2Cc1ccccc1 | 0.701508 |
O=C(CSC1=Nc2ccccc2CS1)NC[C@H]1Cc2ccccc2O1 | Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 | 0.546145 |
CCn1c(CN2CCC3(CC2)c2nc[nH]c2CCN3C)nc2ccccc21 | CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(OC)cc2)cc1Cl | 0.549266 |
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(S(N)(=O)=O)CC1 | CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2cn(CC3CC3)c3cccc1c23 | 0.558455 |
CCOC[C@H](Cc1ccc(F)cc1F)NS(=O)(=O)c1cc(C(=O)O)c(C)s1 | CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O | 0.574627 |
CCCn1nnc2ccccc2/c1=N\c1ccccc1Cl | CCOc1ccccc1N1CCN(C(=O)C[C@]2(c3ccc(OC)cc3)CC(=O)N(C3CC3)C2=O)CC1 | 0.559613 |
COc1ccc(C)cc1C(=O)CN1C(=O)c2ccccc2O[C@H](C(C)C)C1=O | CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 | 0.612179 |
O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)N1CCCCC1 | COc1nc(C)cc(N2CCC[C@](C#N)(c3ccccn3)C2)n1 | 0.649123 |
CCN1C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)SC1=S | CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 | 0.578109 |
O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCCC1=CCCCC1 | COc1cccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)c1 | 0.596054 |
Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)C[C@@H]4C=CCC4)C[C@H]3O2)n1 | CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC | 0.593272 |
C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)[C@@H]1CN | O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1)N1CCCC1 | 0.53304 |
COC(=O)c1csc(NC(=O)c2cc(Br)c[nH]2)c1 | Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccccc4Br)C3=O)cc(=O)oc2c1C | 0.53814 |
COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 | CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6ccc(Cl)cc6Cl)=NO[C@H]45)[C@@H]3C2=O)cc1 | 0.703947 |
COc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 | N#C[C@@H](C(=O)C[C@H]1Cn2c(nc3ccccc32)NC1=O)c1nc(-c2ccccn2)cs1 | 0.713 |
OC1=NC(c2ccccn2)=NN[C@@]12CC(c1ccccc1)=NN2 | CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 | 0.580405 |
Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)cc2)n1 | CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)CCc1cccs1)CC2 | 0.52935 |
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 | O=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[nH]c2ccccc12 | 0.554622 |
COc1cccc(-c2n[nH]cc2-c2nc(CN3CCCC3)no2)c1 | COC(=O)c1ccc(OC)c(NC(=O)N2CC[C@H]2c2cccc(OC)c2)c1 | 0.543879 |
Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4ccc(C)c(Cl)c4)cc32)cc1 | COc1cc([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]c(C)c4C3)C2)cc(F)c1F | 0.625 |
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N[C@H]1CCS(=O)(=O)C1 | O=C(CCCc1ccc2c(c1)CC(=O)N2)NC[C@]1(O)CCc2cc(F)ccc21 | 0.598942 |
CCc1cc(N2CCC[C@H](Cn3ccnc3)C2)n2nc(C)c(C)c2n1 | CNC(=O)[C@@H]1CNCCN1C(=O)c1cccc(Nc2cc(C)nc(C)n2)c1 | 0.606438 |
Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1S(=O)(=O)N1CCCCCC1 | Cc1nc2cncc(N3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)n2n1 | 0.612802 |
CC(=O)c1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)ccc1C | CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)N[C@@H]2CCCOC2)CC1 | 0.540793 |
Cc1cnc(-c2nnc(CNC(=O)c3ccc(F)cc3)o2)cn1 | CN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCCc1ccncc1)C1CCCCC1 | 0.542299 |
CCN1CCc2[nH]cnc2C12CCN(C(=O)c1n[nH]c3ccc(C)cc13)CC2 | CCn1ccc(CN2CCCN(C(=O)[C@@H]3CC(C(C)C)=NO3)CC2)n1 | 0.583596 |
C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 | CN(CCOc1ccccc1Cl)C(=O)c1cnc2n(c1=O)CCS2 | 0.565957 |
COC(=O)c1ccc(CN2CCNC(=O)[C@@H]2c2cccs2)o1 | CCc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 | 0.532979 |
Cc1csc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 | CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 | 0.607863 |
CN(C[C@@H]1CCCCO1)C(=O)Nc1ccccc1OCc1ccccn1 | CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 | 0.548098 |
Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C(F)(F)F)o1 | CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 | 0.513707 |
CC(C)OC[C@H](O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C | CC(C)N1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C(N)=O)C1 | 0.750251 |
Nc1nc2c(s1)[C@@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 | C[C@H](C(=O)Nc1nc2ccccc2nc1N1CCCC1)C1CCOCC1 | 0.510497 |
CN(Cc1nccn1C(F)F)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 | Cc1cc(C)n(CC(=O)N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)n1 | 0.551392 |
Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCOc4c(C)cccc43)C2)n1 | Cc1cc2c(cc1CN1CCCn3nc(C(=O)N4CCOCC4)cc3C1)OCO2 | 0.629707 |
COc1cc(NC(=O)c2ccn(CC(F)(F)F)n2)nn1C | COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(Cl)c1 | 0.529781 |
Cc1cccc(-n2c(SC[C@@H]3CC[C@H](CO)CO3)nc3cc(Cl)ccc3c2=O)c1 | CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc2ccccc12)S(C)(=O)=O | 0.593946 |
C[C@@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C[C@@H](c2ccccc2)C1 | CCOC(=O)c1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2 | 0.776892 |
Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 | Cc1noc2ncnc(NCc3ccc(N4CCC(C)CC4)nc3)c12 | 0.606257 |
O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1)Nc1ccccc1 | COC(=O)c1sccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 | 0.569182 |
Cc1ccsc1CN(C)C(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 | CC1(C)CCc2c(C(=O)O)csc2C1 | 0.50655 |
CC(C)N1C[C@@H](C(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)CC1=O | CCCc1cnc(C)nc1N1CCC[C@H](c2nnc(CN(C)C)n2C)C1 | 0.526082 |
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCc3cc(=O)oc4cc(O)ccc34)CC2)c(C)c1 | Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 | 0.530416 |
C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O | CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 | 0.7334 |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H](N)CCC(=O)O)[C@H]1O | CCOCC(=O)N[C@H]1CCc2ncc([N+](=O)[O-])cc2C1 | 0.609407 |
Cc1nc([C@H]2CCCN(C(=O)NCCc3cn4ccccc4n3)C2)n[nH]1 | Cc1cc(CNc2ccc(-c3nc(-c4ccccc4C)no3)cn2)[nH]n1 | 0.501099 |
C=CCc1cc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)cc(OC)c1OCC(=O)O | Cn1ccc(CN2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)n1 | 0.626709 |
CCCn1nc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1=O | Cn1ccnc1C(=O)N1CCC[C@]2(CC1)CN(c1cccc(F)c1)C(=O)CO2 | 0.612223 |
CCCO[C@H]1C[C@@H](C(=O)NCCNC(C)=O)CC[C@@H]1N=c1cc[nH]c(=N)[nH]1 | COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2ccccc2F)c1=O | 0.565 |
CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@H](Cc2ccccc2-c2cccnc2)C1=O | CCO[C@H]1C[C@@H]1c1nnc(N2CCN(c3cccc4[nH]ccc34)CC2)n1CC | 0.602308 |
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