p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
C[C@@H](C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O | O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc2c(c1)OCCO2 | 0.562028 |
C[C@@H]1CCN(Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)[C@H](C(N)=O)C1 | CCCn1nc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1=O | 0.602151 |
COc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1N1CCCCC1=O | Cc1csc2nc(CN(C)Cc3nnc4ccccn34)cc(=O)n12 | 0.539362 |
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N1CCO[C@@](C)(C2CC2)C1 | Cc1ccc(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)c(C)c1 | 0.614561 |
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 | COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)cc3)nn2C)cc1Br | 0.674349 |
CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccco3)nc21 | CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C)s2)c1 | 0.55074 |
CCCc1cc(-c2cccc(C(=O)N(C)Cc3nccs3)c2)nc(C)n1 | COC(=O)[C@@H](C)Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 | 0.536216 |
O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2O)C1=O | Cn1cccc1[C@@H]1CCCCN1CCS(=O)(=O)Cc1ccccc1 | 0.588415 |
CCC[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 | COC(=O)[C@@H]1CCc2c(ccc(OC)c2C)C1=O | 0.562701 |
c1cc(CNCc2ccc(-n3cccn3)nc2)c2[nH]ncc2c1 | COc1cc(OC)c(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC | 0.53178 |
Cc1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)on1 | CN(C)[C@@H](CNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccco1 | 0.580749 |
CNc1cnc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)cn1 | C[C@]1(c2ccccn2)Nc2ccccc2-c2nnnn21 | 0.580285 |
CC(C)CC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc([N+](=O)[O-])cc4)c3)C(=O)N=C2S1 | Cc1c(NCc2nc(-c3cccc(Cl)c3)no2)cccc1S(C)(=O)=O | 0.617677 |
CC(=O)N(c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1)c1ccccc1F | Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 | 0.593348 |
O=C(c1ccc(Cl)cc1Cl)N1N=C(C(F)F)C[C@]1(O)C(F)F | O=S(=O)(N[C@H](c1cccs1)C1CCCC1)c1cnn(-c2ccccc2)c1 | 0.611227 |
O=C(OCC(=O)N1CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 | O=C(CSc1nc(=O)c2cnn(CCO)c2[nH]1)Nc1ccc(F)cc1 | 0.516421 |
O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 | CC[C@@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 | 0.622407 |
CCCCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)SC1=S | CCO[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3cc(F)ccc23)C1(C)C | 0.573347 |
CC(O)=Nc1ccn([C@H]2CCN(Cc3ccco3)C2)n1 | COc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)nn1 | 0.550911 |
CCc1ccccc1NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1 | CCCN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 | 0.538071 |
CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1ccc3cc[nH]c3n1)C2 | COc1cccc(C(=O)N2CCN(Cc3cc(-c4ccncc4)no3)CC2)c1 | 0.525253 |
O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCOCC2)C1 | COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 | 0.508792 |
CCOc1cc2c(cc1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)O[C@H](C)C2 | Cc1ccsc1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 | 0.595992 |
COc1ccc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c(OC)c1OC | CS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 | 0.637605 |
CCOCCOC(=O)[C@H]1CCC(=O)N1CN(C(C)=O)c1cc(OC)ccc1OC | CCOc1cc2c(cc1CN[C@H](C)c1cnc(C)nc1C)O[C@H](C)C2 | 0.538629 |
O=C(c1ccccc1Cn1cccn1)N1CCC[C@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 | CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 | 0.590722 |
CN(c1nc(C2CC2)ns1)C1CN(c2cnccn2)C1 | CC(=O)[C@H](C)n1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C | 0.538542 |
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-n4cccn4)cc3)c2C(N)=O)C1 | O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1CC(=O)N1CCCC[C@@H]1c1cccnc1 | 0.70102 |
Cc1cc([C@@H]2CCCN2C(=O)NCCc2nc3ccccc3n2C)no1 | CC[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(S(=O)(=O)NC)cc1 | 0.600649 |
CC/C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1 | C/N=C1\S[C@@H](CC(=O)Nc2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)C(=O)N1C | 0.515086 |
CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCCC2)CN1C(=O)c1ccccc1 | C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O | 0.534442 |
O=C(Nc1cccc(Cl)n1)c1oc2ccccc2c1CSc1ncccn1 | CN(CCO)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@H]13)O2 | 0.58159 |
Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCOCC2)c2cccc(C)c2)cc1 | CN(c1ccnc(C#N)c1)[C@H]1CCO[C@@H]1c1cccnc1 | 0.51522 |
NC(=O)c1cc(-c2csc(NC(=O)C3CCCCC3)n2)c[nH]1 | Cn1c(N)c(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(=O)n(C)c1=O | 0.5659 |
C=CCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC | Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(C)oc3C)C2=O)n(C)n1 | 0.555907 |
COCC[C@@H]1COCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 | CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2 | 0.5236 |
CCNC(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O | CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cccc(C)c2)cc1 | 0.542763 |
NCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O | O=C(CN(Cc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1)N1CCNC1=O | 0.587973 |
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccc1)O3 | CCC(C)(C)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C1 | 0.676684 |
O=C(O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1cccs1)CC2 | Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1 | 0.716717 |
CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)ccc1O | O=C(Cn1cnccc1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 | 0.750251 |
CC(=O)N1CCCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CC1 | COC(=O)c1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 | 0.529724 |
COc1ccsc1S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F | COc1ccc(OC)c(CN(C(=O)[C@H]2CCCc3ccccc32)c2cnn(C)c2)c1 | 0.517094 |
Cc1nn(-c2ccc3c(c2)OCO3)c(N)c1C#N | CCn1c(CN2CCc3sccc3[C@H]2c2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 | 0.610718 |
COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c(OC)c1 | COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)n2)C1 | 0.551913 |
O=C(OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])s1 | Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)s1 | 0.560261 |
COc1cccc2c1OC1(CCN(C(=O)c3ccncn3)CC1)[C@H]1CCCO[C@H]21 | CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)s1 | 0.646027 |
Cn1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc21 | Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)n(C)c4ccccc34)C2=O)cc1C | 0.646872 |
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1 | CCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C)cc1OC | 0.700508 |
CCOC(=O)c1cc(NC(=S)NCCCN2CCc3ccccc3C2)ccc1Cl | Cc1ccc(S(=O)(=O)N2CCn3nnc(COc4cccnc4)c3C2)cc1F | 0.539515 |
Cc1c(C(=O)NCCc2ccncc2)sc2ncnc(NCc3ccco3)c12 | Cc1ccc2occ(CN3CCC4(CC3)C[C@@H]4C(=O)Nc3ccc(F)c(F)c3)c(=O)c2c1 | 0.637666 |
CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cnn(CC)c1)CC2 | CCN(CC)C[C@@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 | 0.504907 |
COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3cncn3C)C2)cc1 | CN(Cc1ccc2cnccc2c1)C(=O)c1cn([C@@H]2CCNC2)nn1 | 0.503448 |
C[C@H](N)[C@@H](C)C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1 | COc1ccccc1CNC(=O)CSc1nc(C)nc2sc(C)c(C)c12 | 0.526659 |
CO[C@@H]1[C@@H](C)[C@H](N=c2ncnc3[nH][nH]c(C)c2-3)C1(C)C | CC(C)c1nc([C@H]2CCCN(c3ncnc4ccccc34)C2)no1 | 0.553666 |
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN[C@H]1CCCC[C@H]1Cc1ccco1 | O=C(c1ccccc1F)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1 | 0.506508 |
C[C@]1(c2cccc3ccccc23)NC(=O)N(CCOCCO)C1=O | O=C(Nc1ncn(C2CCCCC2)n1)N[C@@H]1CCN(c2ccccc2F)C1=O | 0.575758 |
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccccc2)c1C | Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c2ccccc2n1 | 0.651452 |
O=C([C@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)c2ccccc2O1)N1CCCCC1 | O=C(c1sc2cccc(F)c2c1Cl)N1CCOC[C@H](CO)C1 | 0.67349 |
O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1c(Cl)cccc1Cl | C[C@H](Oc1ccc(F)cc1)C(=O)OCc1cc(=O)n(C)c(=O)n1C | 0.570362 |
CCc1nnc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)s1 | COc1ccc(CN2CCN(C(=O)c3oc4ccccc4c3C)CC2)c(OC)c1OC | 0.536612 |
CCOC(=O)Cc1csc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)n1 | Cc1cc(C)cc(N2C(=O)CN(C3CCCC3)[C@H]3CS(=O)(=O)C[C@H]32)c1 | 0.601881 |
CCOC(=O)C[C@H](NC(=O)c1noc2c1CCCCC2)c1ccc(F)cc1 | CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cnn(CC(N)=O)c1 | 0.537459 |
COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1)C3 | CN(Cc1nc2ccccc2s1)[C@H]1CCOC2(CCOCC2)C1 | 0.580222 |
COc1ccc(Cn2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)cc1OC | O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Cl)c[nH]1 | 0.517204 |
Cc1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3CN3CCOCC3)c2)nc1 | CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C(OC(C)=O)OC(C)=O)(O4)[C@@H]3C2=O)c1 | 0.598974 |
Cc1ccc(Nc2nc(N)nc(CSc3nnc(C)n3C3CCCCC3)n2)cc1 | C[C@@H](OC(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1nc(C2CC2)no1 | 0.519651 |
COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1OC | CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCCc2ccccc21 | 0.639378 |
CCCn1c(=O)c(C(=O)Nc2nnc(CC(C)C)s2)c(O)c2ccccc21 | CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC | 0.822549 |
COc1ccc2c(c1)c1ncnc(N3CCCC3)c1n2C | CCOC(=O)/C=C(/Nc1cc2c(cc1C)cc(C)n2C)C(=O)OCC | 0.592959 |
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN)cc3)CC2)OC[C@@H]1n1cc(F)c(O)nc1=O | CC[C@@H](C)n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S | 0.501071 |
COc1cc(OC)cc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)c1 | Cn1cc(-c2ccc(F)c(C(=O)NCC[C@@H]3CCCC[C@@H]3O)c2)cn1 | 0.559096 |
Cc1noc([C@@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)n1 | CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[nH]c2=O)C1 | 0.514595 |
O=C(N[C@@H]1CCC[C@H](C(=O)O)C1)c1c(Cl)nc2ccccn12 | O=c1nc(O)ccn1[C@H]1[C@H](CNCc2ccccc2)C[C@H](O)[C@@H]1O | 0.562293 |
O=C1NCCN1C(=O)NC[C@](O)(c1ccoc1)c1cccs1 | C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1c[nH]c2ccccc12 | 0.57339 |
CC(C)(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@](C)(O)C1)c1ccc(Cl)cc1 | CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl | 0.568376 |
CN1C[C@H](C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O | CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C | 0.528634 |
O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(-n2cnnn2)ccc1O | Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCO[C@@H](C)C2)no1 | 0.510932 |
COc1cc2c(cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O)oc1ccccc12 | O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCOC1 | 0.619938 |
O=C(CCF)N1CC[C@@]2(COc3ccc(-c4ccccc4)cc32)C1 | Cc1cc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)ccc1N1CCCC1=O | 0.515254 |
O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1COC[C@H]1Cc1ccncc1 | COc1ccc(OCCN2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1 | 0.526147 |
Cc1c(F)cc(C(N)=O)cc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 | O[C@@]1(c2ccccc2)CCN(Cc2ccccc2OC[C@@H]2CCCO2)C1 | 0.53268 |
CC(=O)N(c1ccccc1)c1nc(Cn2nc(-c3cccs3)oc2=O)cs1 | CC(C)c1cc(C(=O)NCCCn2ccc3ccccc32)nc2ncnn12 | 0.634047 |
Cc1nc([C@H]2CCCN(C(=O)c3ccccc3NS(C)(=O)=O)C2)nc2c1CCCN2C | Cc1c(CCC(=O)N2CCO[C@H](c3ccncc3)C2)cnn1C | 0.517723 |
C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[N+](=O)[O-] | Cc1ccccc1-n1nc2c(c1NC(=O)c1c(F)cccc1F)C[S@@](=O)C2 | 0.508351 |
O=C(NCc1ccccc1)C1=NO[C@@]2(COCC[C@@H]2NS(=O)(=O)c2ccccc2)C1 | C[C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@@H](c2ccsc2)O1 | 0.663551 |
Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CCC3 | CNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1 | 0.719758 |
Cc1sc2nc(-c3cccs3)nc(N[C@H](C)C(N)=O)c2c1C | O=C(c1cc(S(=O)(=O)Nc2ccccc2)c[nH]1)N1CCCC1 | 0.532072 |
COc1ccc(-n2c(S[C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)nnc2-c2ccncc2)cc1 | Cc1nccn1-c1ncccc1NC(=O)CS(=O)(=O)CC(C)C | 0.608205 |
COc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(=O)c1ccccc1C | Cc1nc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2cccc(F)c2)C3)co1 | 0.584728 |
CN1CCC[C@H](C(=O)N2CCc3ccccc32)C1 | Cc1cc(=O)n([C@@H](C)C(=O)NCc2ccco2)c2c1c(C)nn2-c1ccccc1 | 0.542973 |
CN1C[C@@H](CN(C)C(=O)c2cccc(-c3nccc4ccccc34)c2)CC1=O | CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1ccccc1)C(F)(F)F | 0.538549 |
Cc1cc(C)c2c3c(c(=O)oc2c1)[C@H](c1ccccc1)CC(=O)O3 | CC1(C)CCC[C@@H](c2cccc(NC(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)c2)C1 | 0.603061 |
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N | N=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1 | 0.504566 |
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1cnc2ccccc2c1=O)CC3 | CCN1Cc2ccccc2CC2(CCN(C(=O)OC(C)C)CC2)C1=O | 0.591793 |
Cc1cccc(OCc2nnc(S)n2-c2ccc3c(c2)OCCO3)c1C | CCOC(=O)c1cnn(-c2ccc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)cc2)c1C | 0.571429 |
COC(=O)c1ccccc1NC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O | CCc1ncnc(N2CCN(c3ccc(O)nc3)CC2)c1F | 0.558428 |
COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(OC)cc2OC)CC3=O)cc1 | CCN1C(=O)COc2ccc(NC(=O)N(C)[C@H]3COC[C@@H]3O)cc21 | 0.610204 |
COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccc(F)cc2)cc1 | C[C@]12C[C@@H](c3ccccc3F)N(C(=O)c3cccnc3)[C@H]1CCCC(=O)N2 | 0.690229 |
COc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O | CCC1(CC)[C@@H](N(C)C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)C[C@H]1OC | 0.556375 |
Subsets and Splits