p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)c1cccc3nccnc13)CC2 | Cc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1C | 0.631048 |
Cc1ccc(-c2c[n+](CC(=O)NCc3ccccc3)c3n2CCC3)cc1 | CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cc(C)ccc1C | 0.661943 |
CC(C)(C)c1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3Cl)c2n1 | O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccc[n+]([O-])c1 | 0.644831 |
Cc1ccc(-n2ncc3c2ncn2nc(C)nc32)c(C)c1 | Cc1noc(C)c1CN1CC[C@@H](NC(=O)Cn2cnc(C)c2C)[C@H](O)C1 | 0.547009 |
CNC(=O)c1[nH]cnc1-c1nnc2n1[C@@H](C)C(=O)N(C1CC1)C2 | Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2C/C=C/Cc2ccccc2OCC(=O)N3C)c(=O)n1C | 0.77023 |
CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 | O=C(c1cccs1)N1CCc2[nH]c3c(Br)cccc3c2C1 | 0.520742 |
COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1Br | COc1ccc(CNC(=O)[C@@]23CCC(=O)N2CCS3)cc1 | 0.614719 |
O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 | N#Cc1cc(N)c(Br)n1Cc1ccccc1Cl | 0.506764 |
Cc1ccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c(C)c1 | O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 | 0.739187 |
Cc1cc(NC(=O)NCCc2nc3ccccc3o2)on1 | O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1 | 0.51566 |
CSc1nc(C(=O)O[C@@H](C)Cn2cccn2)c2ccccn12 | CNC(=O)N1CCc2cc(C(=O)NC(C)C)c(NCC3CC3)nc2CC1 | 0.612698 |
Cn1nc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)ccc1=O | COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 | 0.630631 |
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 | O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1)c1ccco1 | 0.572334 |
CCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc(OCC(=O)O)cc3)nc(O)c2c1C | CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1cccc(OC)c1 | 0.688776 |
O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](Oc2cnccn2)C1 | CC1(C)C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 | 0.501116 |
CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cnccn3)cc2)O[C@@H](C(C)C)C1 | N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCCO | 0.569857 |
CC(C)CCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 | Cc1cc(C)cc(NC(=O)C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 | 0.516199 |
Cn1c(CCNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccc(F)cc21 | Sc1nnc(-c2cc(-c3ccsc3)[nH]n2)n1-c1ccccc1 | 0.589474 |
N[C@@H]1CC12CC(NC(=O)C1(c3nccc4ccccc34)CC1)C2 | Cc1cc(C[C@@H]2CN(C(=O)c3ccc4c5c([nH]c4c3)CCCC5)C[C@H]2O)n[nH]1 | 0.57618 |
OC(=Nc1ccc2c(c1)nc1n2CCCCC1)c1cc2n(n1)CCCO2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C | 0.717694 |
Cc1ccccc1NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 | Cc1ncncc1-c1nnc(-c2ccco2)o1 | 0.533473 |
O=C(c1cnoc1-c1ccccc1)N1CCN2C(=O)OC[C@H]2C1 | C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc4ccccc24)CC(=O)N3)C1 | 0.591376 |
COc1ccc(-c2nnc([C@@H](C)Sc3nccn3-c3ccc(OC)cc3)o2)cc1 | O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC=C(c2c[nH]c3ncccc23)CC1 | 0.663866 |
CCn1nc(CNC(=O)[C@@]2(C)CCCCO2)c2ccccc21 | COc1ccc(-c2ncc(C(=O)N(C)c3ccnn3C)s2)cc1 | 0.58061 |
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccncc1 | CC(C)n1c([C@@H](C)NC(=O)c2cc3occc3[nH]2)nc2ccccc21 | 0.561514 |
Cc1csc(=O)n1CC(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 | COc1ccc2[nH]c3c(c2c1)CCN(C)C=C3C(=O)c1c(C)n(C)c2ccc(OC)cc12 | 0.541068 |
C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 | CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 | 0.515351 |
Cc1ccc(OCc2occc2C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 | Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H](C)Cn1cccn1 | 0.520442 |
O=C1c2ccccc2N[C@H](c2csnn2)N1c1cccc(Cl)c1 | C=CCn1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O | 0.58 |
COc1ccc(-c2csc(NC(=O)CNC(=O)c3cc(C)cc(C)c3)n2)cc1OC | CNC(=O)c1cn[nH]c1C1(C)CCN(c2ccnc(C)n2)CC1 | 0.521018 |
CCc1cccc(C)c1N(COC)C(=O)Cn1c([C@@H](C)O)nc2ccccc21 | O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 | 0.651483 |
C=CCc1cc(C)ccc1OC[C@@H](O)CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 | CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 | 0.512432 |
CCOC(=O)[C@](O)(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F | COC(=O)N1CCC[C@@H](N[C@H]2CCc3c(OC)cccc32)C1 | 0.501754 |
CN(Cc1ccccc1N1CCCCC1)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O | Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1 | 0.74773 |
CCOC(=O)/C(C#N)=N/Nc1ccccc1C(=O)OC | CON(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C | 0.374346 |
COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 | COC(=O)[C@@H]1CCN2C(=O)N(c3cc(F)c(OC)cc3OC)C(=O)[C@@H]2C1 | 0.689585 |
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1noc2c1CCCC2 | CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C(F)(F)F)cc2c1 | 0.604797 |
CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)s1 | Cc1c(C(=O)NCc2cccc(-n3cccn3)c2)[nH]c2c1C(=O)CCC2 | 0.777778 |
CCN1CCN(CC(=O)N2CCC[C@@H](CN3CCCC3=O)C2)C(=O)C1=O | COCCN1CCC[C@@]2(CCNC2)C1=O | 0.503254 |
Cc1ccn(CC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c(=O)c1 | Cc1ncc2n1CC[C@H](C(=O)N1CCc3ccc(O)cc3C1)C2 | 0.534502 |
Cc1nc(C(C)(C)NC(=O)Cn2cnc3ccccc32)sc1C | NC(=O)CCN(c1ccccc1)S(=O)(=O)c1cccc(-n2cnnn2)c1 | 0.524892 |
CC(C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 | Cc1cc(C)c2cc3c(nc2c1)OCC(=O)N(Cc1ccc(F)cc1)C3 | 0.622845 |
COc1ccccc1CNC(=O)c1nc2ccccc2s1 | COc1ccc2c(C)c(CC(=O)Nc3cc(C)nn3-c3ccccc3)c(=O)oc2c1 | 0.540569 |
CCOc1cc(C)c(C)cc1S(=O)(=O)NCCCO | Cn1/c(=N\C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)sc2ccccc21 | 0.531541 |
Cc1nc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)ccc1[N+](=O)[O-] | C[C@@H]1c2cccc(C(=O)NCCCOc3ccccc3F)c2O[C@@H]1C | 0.543264 |
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc(-c2ccccc2)cc1 | CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CC1=CCCCC1 | 0.548485 |
Cc1nnsc1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 | CC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)cc1 | 0.537634 |
C[C@H]1CN(CCNC(=O)Cc2cccs2)Cc2ccccc2O1 | CC(C)Cc1ccc(-c2noc([C@H]3Cc4ccccc4O3)n2)c(O)n1 | 0.508215 |
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 | CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCOCC3(CCC3)C2)cc1 | 0.532072 |
COc1cc(OC)cc(C(=O)NCc2nc(-c3cnn(C)c3)no2)c1 | O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C1c2ccccc2Oc2ccccc21 | 0.51766 |
COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(Cl)cc1)CC2=O | COc1cccc(-c2cc(C(=O)O)c(=O)n(CC#N)n2)c1 | 0.626993 |
CS(=O)(=O)N1Cc2cncn2[C@H](C(=O)N2CCCCO2)C1 | CC(=O)Nc1ccc(S(=O)(=O)Nn2c(C)nc3ccc(N)cc3c2=O)cc1 | 0.641822 |
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CN1C(=O)CCC1=O)C2)c1ncc(Cl)cc1Cl | O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCCC1=CCCCC1 | 0.565457 |
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(=O)c3ccco3)CC1)n2Cc1ccccc1Cl | CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O | 0.583247 |
CC(C)(C)c1n[nH]cc1CNCc1cccnc1OCC(F)(F)F | O=C1OCC2=C1[C@H](c1ccc(F)cc1)c1cc3c(cc1N2)OCO3 | 0.508919 |
COc1cc2nc(N3CCN(C(=O)[C@H]4CO[C@@H]5CCCC[C@@H]5O4)CC3)nc(N)c2cc1OC | COc1cc(NC(=O)c2cncn2-c2ccc(F)cc2)cc(OC)c1OC | 0.585233 |
O=C(O[C@@H](c1ncccn1)C1CCCC1)c1ccn2cncc2c1 | O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1F | 0.615619 |
C[C@@H](Cn1cncn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 | Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(Cl)c(F)c4)no3)n2)cc1 | 0.529221 |
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc(C(N)=O)c1C | Cc1c(C(=O)O)oc2c1/C(=N\O)CCC2 | 0.609015 |
Cc1c(OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 | CCc1onc(C)c1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 | 0.59626 |
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N1CCN(c3ccccc3)CC1)CC2 | COc1cc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc(OC)c1OC | 0.62139 |
O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)c1cccc(F)c1 | C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)nnc12 | 0.575695 |
CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N4CCOCC4)n12)CCCC3 | O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 | 0.560081 |
Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3nc(N4CCOCC4)sc32)c(C)c1 | OCCNc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 | 0.579001 |
CCc1ccccc1-n1ccn(CC=C(C)C)c(=O)c1=O | COCCNC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 | 0.549569 |
CCOC(=O)c1cccc([N+](=O)[O-])c1-c1c(C(=O)OCC)cccc1[N+](=O)[O-] | COc1cccc2c1OCC(C(=O)Nc1cc(C)nn1CCC#N)=C2 | 0.584416 |
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1OC | CSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 0.500615 |
O=C1C[C@@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@@H]2C[C@@H]6[C@@H]5[C@H]43 | CC(C)n1ncc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1N | 0.63771 |
CO[C@H](C)CN(C)C(=O)c1cc2cc(C)ccc2nc1C | COCC(=O)N1CCCc2ccc(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)cc21 | 0.508602 |
C=CCOC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 | C[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)CC1 | 0.509372 |
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)c1 | CCn1c(=O)n(CCC(=O)NCCOc2ccccc2)c2ccccc21 | 0.513514 |
CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1OCc1ccccc1 | CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccccc3)c2C1 | 0.513312 |
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)CCOc2ccccc2F)c1C | Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)cc1F | 0.52694 |
O=CN1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CCC3)CC1 | C[C@H]1Oc2c(cccc2C(=O)N2CCCCCC2)NC1=O | 0.61164 |
O=C(c1ccncc1F)N1C[C@H]2CN(c3ccc4nncn4n3)C[C@@H]2C1 | O=C([C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)N1CCCC1 | 0.548241 |
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C | C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC | 0.688933 |
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)N1CCCCCC1 | O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 | 0.573241 |
CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)CC)CC2)cc1[N+](=O)[O-] | COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 | 0.626728 |
O=C(O)[C@@H]1[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)[C@H]2CC[C@H]1O2 | Nc1nc2n(n1)[C@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 | 0.578204 |
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1Cl | Cc1ccc(OCc2cc(C(=O)N(C)CCc3c(C)n[nH]c3C)no2)cn1 | 0.551173 |
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)O[C@H](C)C(N)=O | O=C(Nc1ccccc1)OCCSc1nnc(-c2cccnc2)n1Cc1ccccc1 | 0.534292 |
O=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 | Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 | 0.632739 |
Cc1ccc2[nH]cc(CN(C)C(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)c2c1 | CCCCN1C(=O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S | 0.57652 |
Cc1sc(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nc1-c1ccccc1 | Cc1cc(NC(=O)c2cccnc2-c2nc3ccccc3s2)no1 | 0.633403 |
O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 | CCn1ncc2[nH]c(-c3ccc(OC)c4cccc(OC)c34)nc21 | 0.601449 |
c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(-c4ccn[nH]4)s3)n2)nc1 | COC(CN1C(=O)O[C@](C)(Cc2ccccc2)[C@@]1(C)O)OC | 0.650515 |
O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 | Cc1ccc2cc(CN3CC[C@H](CO)[C@H](O)C3)c(N3CCOCC3)nc2c1 | 0.554393 |
Cc1cccnc1CNC(=O)c1ccc2oc(Cc3ccccc3)nc2c1 | CC(=O)N[C@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2)C(=O)O | 0.531453 |
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4ccccc4OC)c3n2)cc1 | C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1 | 0.530032 |
Cc1cc(C)c([C@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1C | COC(=O)c1sccc1Cn1cnc2cc(F)c(F)cc2c1=O | 0.63522 |
Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C | COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 | 0.612291 |
COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1n[nH]c(C(C)C)n1 | O=C1c2cccc(N3CCN(Cc4ccccc4F)CC3)c2C(=O)N1C[C@H]1COc2ccccc2O1 | 0.603484 |
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NN1C(=O)NC2(CCCCC2)C1=O | CN(C)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 | 0.648148 |
NC(=O)c1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)sc2c1CCC2 | O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl | 0.509278 |
COc1cc2oc(=O)cc(C)c2cc1CC/C(O)=N/c1nc(C(F)(F)F)n[nH]1 | COC(=O)c1ccc(CSc2nnnn2-c2ccc(OC)cc2)o1 | 0.51921 |
O=C1O[C@H]2CNC[C@H]2N1C1CCN(Cc2cccc(F)c2)CC1 | O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 | 0.545748 |
CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2nc3ccc(C)cn3c2F)C1 | CCC(=O)N(c1nnc(SCCOc2ccccc2Cl)s1)C1CC1 | 0.529787 |
CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1C[C@H](C)CC2 | CCn1c(S[C@H](CCN(C)C)c2ccccc2)nnc1C1CC1 | 0.577331 |
O=C1O[C@@H]2[C@H]3c4ccccc4[C@H](c4c3ccc3ccccc43)[C@H]2O1 | Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cccc(C)c5C)nc34)n2)cc1 | 0.61277 |
CCOc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1 | O=C(NC[C@H](O)CN1CCCCCC1)Nc1cccc(-c2cnco2)c1 | 0.5 |
Subsets and Splits