p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 | O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccnn1C1CCCC1 | 0.693028 |
NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 | O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1coc2ccccc12 | 0.562568 |
C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S | O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCOCC3)ncc21 | 0.627263 |
Cc1ccc(F)c(-n2nnnc2CN2CCC[C@@H]2C(N)=O)c1 | C[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CCc2ccccc21 | 0.518398 |
CCCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1 | CC(=O)c1cc(CCC(=O)Nc2ccc(C(N)=O)cc2)oc1C | 0.508772 |
CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1coc3ccc(C)cc3c1=O)CC2 | C=CCN1C[C@@H](C(=O)Nc2nnc(CCN(C)C)s2)CC1=O | 0.542008 |
C[C@H]1CCc2c(sc3nc([C@H](C)Sc4nnc(N)n4C4CC4)[nH]c(=O)c23)C1 | Cc1cc(C(=O)Nc2c(C)cccc2C)c2c(C)noc2n1 | 0.676798 |
CS(=O)(=O)NCCC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 | O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cccc(Cl)c1 | 0.525739 |
Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)O)C2)cs1 | O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc(C(F)(F)F)c1 | 0.503731 |
CN1C(=O)COC12CCN(C(=O)c1noc3c1CC(C)(C)CC3)CC2 | C[C@@H]1Cc2ccccc2N1C(=O)CN(C)Cc1c(F)cccc1Cl | 0.630021 |
COC(=O)Cc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)n1 | CN(C(=O)NCc1cccnc1-n1cncn1)C1CCCCC1 | 0.557629 |
O=C1/C(=C\c2ccc(F)cc2)COc2ccc(Br)cc21 | C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 | 0.52546 |
CCOC(=O)CCN(Cc1cccnc1)c1nc(C)nc2sc(C(=O)OCC)c(C)c12 | O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 | 0.813121 |
CCOc1ccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)c(Cl)c2)cc1 | O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN2CCC[C@@H]2C1)OCCO3 | 0.55726 |
Cc1c[nH]nc1[C@H]1CCN(C(=O)CCc2c(C)noc2C)C1 | COCC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(OC)cc1 | 0.554957 |
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC | COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc(C)c1)=C2C | 0.734631 |
CNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1 | O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 | 0.511547 |
CN(C(=O)COc1ccc(F)cc1Br)[C@H](c1ccccc1)c1ccccn1 | O=C(NCc1ccccc1F)c1nnn2c1CO[C@@H](c1ccccc1)C2 | 0.547009 |
CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)Oc2ccccc21 | N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 | 0.543617 |
CCCOc1ccc(N2C(=O)C[C@H](NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 | Cc1nc(C)n(C[C@@H]2CCCCN2[C@@H]2C[C@@H](C)OC2=O)n1 | 0.520857 |
CC(=O)Nc1cc(C(=O)Nc2cc3n(n2)CCCC3)ccc1C | COCCNCC(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 | 0.550489 |
COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 | C[C@@H](Nc1ccc2nnnn2n1)C(c1ccccc1)c1ccccc1 | 0.54065 |
CCN(CCO)Cc1c(C(=O)N2CCOCC2)nc2ccccn12 | C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)c1c[nH]c2ccccc12 | 0.538717 |
COc1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]4(C)C3)cc2c1 | CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)c(C)c1 | 0.517014 |
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(c4ccc(F)cc4)C3=O)c2C)c1C | CNS(=O)(=O)c1cc(NS(=O)(=O)c2cnc3ccccc3c2)ccc1C | 0.585921 |
CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)cnc21 | NC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 | 0.649378 |
COc1cc(CCC(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)on1 | CCOCCN1CCN(c2nnc(C)c(C)c2C#N)C[C@@H]1CC | 0.607438 |
C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Oc2ccccc2)cc1 | CCn1cnnc1[C@H](C)NC(=O)c1cccc2ccnn12 | 0.505605 |
O=c1[nH]c(C(F)(F)F)nc2c1cnn2Cc1ccccc1 | COc1ccc(OC)c(N/C(C)=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 | 0.54729 |
Cc1cccc(C)c1NC(=O)Cn1cnc2c(C(N)=O)nsc2c1=O | COc1ccc(-c2nc(NC(=O)[C@H]3CCCN(C(N)=O)C3)sc2C)cc1 | 0.615305 |
COc1cc(/C=N\N2C(=O)CSC2=S)cc(Br)c1OCc1ccccc1Cl | CCOc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 | 0.609856 |
CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1=O | CC(=O)Nc1cccc(NC(=O)CCc2nnc3ccc(OC(C)C)nn23)c1 | 0.570146 |
COc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)C2=O)cc1 | C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(-c2ccccc2)cs1 | 0.628571 |
CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1S(=O)(=O)NC(C)C | CC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 | 0.52546 |
COc1nc(N2CCN(c3nc(C(C)C)cc(C(F)(F)F)n3)CC2)nn1C | COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)sc(C)c1C | 0.554011 |
Cn1nnnc1SCC(=O)N1CCS[C@H](c2cccs2)CC1 | O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 | 0.501625 |
CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C | Cc1ccccc1N1CC[C@@H](CNC(=O)c2cnn3ccn(C)c23)C1 | 0.520134 |
COc1ccc2oc(CNc3ncc(F)c(N4CCOCC4)n3)nc2c1 | COc1cc(CN2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC | 0.508532 |
Cc1ccc(OCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)c([N+](=O)[O-])n1 | CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1 | 0.627136 |
CC[C@H](C(=O)Nc1ccc(OC)cc1)n1nnc2ccccc2c1=O | Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(C(=O)O)cc2)n1 | 0.582726 |
CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnnn1-c1ccccc1 | O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F | 0.556867 |
CN1CCN(C(=O)c2ccc(OCC(=O)O)cc2)Cc2ccccc21 | O=C(OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)c1cc(=O)c2ccccc2o1 | 0.555332 |
O=C(c1cc2c(nc1O)CCC[C@@H]2O)N1CCO[C@@]2(CCc3ccccc32)C1 | Cc1cc(C(=O)N2C[C@H](O)C[C@H]2CO)cc(O)n1 | 0.585185 |
Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)nn2)n1 | COc1ccc(N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1 | 0.616915 |
CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 | COc1ccccc1CC(=O)N1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 | 0.552691 |
Cc1cnccc1N1CCCN(C(=O)c2n[nH]c3c2COCC3)CC1 | CCc1ccc(N/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 | 0.541943 |
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 | Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccc(F)cc2)cc1 | 0.579957 |
CCOC(=O)c1nnn(Cc2ccccc2Cl)c1NC(=O)CN1CCCCC1 | COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O | 0.5397 |
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1c(C)cc(C)cc12 | Cc1cccn2c(=O)c(C(=O)OCCc3ccsc3)cnc12 | 0.616832 |
O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)Nc1cccc(C(F)(F)F)c1 | Cc1ccc(C(=O)O[C@H](C(=O)NCc2ccccn2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 | 0.56148 |
Cc1cc(C)n(CCC(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)n1 | Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C | 0.515385 |
COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1OC | COc1ccc(C)cc1NC(=O)c1ccc(Cn2cccn2)cc1 | 0.524625 |
CCCOc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 | CC(C)S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 | 0.533917 |
COc1ccc(C=C2C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 | C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1nncn1C1CCCC1 | 0.550538 |
Cc1ccc2nc3c(c(C(=O)O)c2c1)CCC/C3=C/c1cnn([C@@H]2CCS(=O)(=O)C2)c1 | O=C(/C=C/c1ccco1)N1CCC[C@@H]1c1nccnc1Nc1ncccn1 | 0.700605 |
CC(=O)N[C@@H](C(=O)N1CCC([C@@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1)C(C)C | CCCCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21 | 0.577125 |
Cc1cc(=O)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)o1 | Cc1cnc(C)c(N2CCC3(CC2)CN(C(=O)c2cncn2C)CCO3)n1 | 0.536403 |
Cc1nc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc2o1 | O=C(NC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)c1ccccc1 | 0.532571 |
CC1(C)CCC[C@H]1NC(=O)N1CC2(CCOCC2)c2ccccc21 | CCn1cnc2c(N3CCC[C@](O)(CC(=O)NC)C3)ncnc21 | 0.60911 |
C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1)c1ccsc1 | COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3OC)C2)c(OC)c1 | 0.61442 |
OCCOc1ccc(NCc2ncc(-c3ccc(F)cc3)o2)c(C(F)(F)F)c1 | COc1ccccc1[C@H](NC(=O)Nc1cc(C)on1)c1nccn1C | 0.546667 |
CCCCCCNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C | C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc2c(c1)OCO2 | 0.581818 |
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 | CCn1c(NC(=O)[C@@H]2CCCC(=O)N2C)nc2cc(Cl)ccc21 | 0.529025 |
COC(=O)c1ccc(C)c(-n2c(N)c(C(N)=O)sc2=S)c1 | O=C(c1csc2c1CCCC2)N1CC[C@H](c2nc(-c3ncccn3)no2)C1 | 0.668394 |
NC(=O)C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 | COCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O | 0.503247 |
CCOC(=O)c1c(C)oc2nc(CN(C)Cc3sccc3C)[nH]c(=O)c12 | COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(-c4ccco4)c3)CC2)C1=O | 0.693333 |
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)CC1 | Cc1nnc2sc(COc3cccc4ccccc34)nn2c1=O | 0.594484 |
COC[C@@](C)(OC)C(=O)NC1CC(N(C)C(=O)c2ccc(-c3ccccn3)o2)C1 | NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)c2cnccn2)C1 | 0.599338 |
COc1ccccc1[C@H]1NC(=O)N(Cc2cccc(COC3CCOCC3)c2)C1=O | CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cccc3ccccc23)c1=S | 0.615385 |
O=C(CCC1CCCC1)N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 | Cc1cnc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)s1 | 0.589717 |
Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 | O=C(c1cnc2cccnn12)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 | 0.707165 |
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1[N+](=O)[O-] | Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])cc1C | 0.546841 |
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 | COC(=O)c1cc(C)nc(N2CCO[C@@H](c3ccccc3)C2)n1 | 0.561845 |
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cccnc3C)cc2N1 | Cc1nc(C(=O)N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)cs1 | 0.62551 |
COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C1)O2 | COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(OC)c(OC)c4)cc3N2)cc1 | 0.775654 |
CCCCCN1C(=O)S/C(=C\c2cc(OCC)c(O)cc2Br)C1=O | COc1ccc(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)O | 0.54185 |
Cc1nnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCC(C(C)(C)C)CC2)s1 | C[C@H](Cc1cnccn1)N(C)C(=O)Cc1c[nH]c2ccccc12 | 0.5 |
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)c1 | O=C(CSc1ncnc2ccccc12)c1ccc2c(c1)CCC2 | 0.548626 |
CCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)cc2)CC1 | Cc1ccc(C)c(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 | 0.638165 |
Fc1cc2ncn(Cc3csc(-c4ccccn4)n3)c2cc1F | CCc1cc2c(=O)[nH]c(-c3nnc[nH]3)nc2s1 | 0.515217 |
Cn1cc(S(=O)(=O)N[C@@H]2CCc3c(Cl)cccc32)cn1 | CSc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 | 0.564021 |
O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc2nsnc2c1 | O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2 | 0.564848 |
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc2c(=O)[nH]cnc2cn1 | N=c1[nH]c(C2CCCC2)ncc1/C(O)=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 | 0.531216 |
CCc1cnc(NCc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)s1 | COc1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2C(=O)Cc2ccccn2)cc1 | 0.611452 |
Cn1ccnc1[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(F)cc1 | COc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1F | 0.541711 |
CC(=O)N(c1ccccc1)[C@H]1COC2(CCN(Cc3ccccc3OCc3cccnc3)CC2)C1 | CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(F)c4)C3=O)o2)cc1 | 0.643836 |
CN1CCN(c2ncccc2CNC(=O)Cn2nc(Cl)ccc2=O)CC1 | C[C@@H]1Cc2cc(C(=O)N[C@H]3CC34CCCCC4)ccc2N1S(C)(=O)=O | 0.57067 |
O=C1NCC(=O)N2C[C@H](NC(=O)C3(c4ccccc4)CCCCC3)C[C@@H]12 | CCOc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(C)c4)c3C)c(C)o2)cc1 | 0.579002 |
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 | O=C(Nc1ccccc1)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 | 0.501788 |
NC(=O)c1ccnc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c1 | O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 | 0.628661 |
CC(C)CN1C[C@@H](c2nc(-c3cc(OC(F)F)ccc3F)no2)CC1=O | Cc1ccc2cc(C3=C/C(=C/c4ccc(N(C)C)o4)C(=O)O3)ccc2c1 | 0.530303 |
CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccnc(OC)c1 | CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 | 0.528825 |
Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(CCc2ccccc2)c1C | Cc1ccccc1OCC(=O)N(C)Cc1nc2ccccc2n1C(F)F | 0.5625 |
C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC12CCC2 | O=C1NC2=C(C(=O)N(CCc3ccccc3)C2)[C@H](c2ccc(F)cc2)N1 | 0.554957 |
Cc1c(CN2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cnn1C | CN1C(=O)[C@@]2(N[C@@H](CCC(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 | 0.529058 |
Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)n1 | O=C(CC1=CSC2=NCCN12)N1CCC2(CC1)c1ccccc1C[C@H]2O | 0.622917 |
O=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1c[nH]nc1-c1ccncc1 | CCOC(=O)[C@@](NNS(=O)(=O)c1ccc(C)cc1)(NC(=O)CC(C)C)C(F)(F)F | 0.599587 |
COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 | COc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4nn(C)cc43)C2)cc1 | 0.607257 |
COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC | C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc[nH]1)C2 | 0.548977 |
COCc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)o1 | Cc1c(Cl)cccc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1 | 0.636082 |
Subsets and Splits