p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CC1(C)CC(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)CC(C)(C)N1 | C#CCCC1(CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)N=N1 | 0.614572 |
COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1cc(C)cc(C)c1 | CS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2 | 0.557325 |
CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 | Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)no1 | 0.50924 |
Cc1noc(C)c1CSCC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)s1 | COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCCn2nc(C)cc2C)cc1 | 0.573276 |
CCn1ncc(S(=O)(=O)N2CCC[C@@H](COc3cccc(OC)c3)C2)c1C | O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccccc1 | 0.548117 |
CN1CCO[C@@H](CNCc2c[nH]nc2-c2cccs2)C1 | OCCOc1ccccc1CN1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 | 0.533898 |
Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)no1 | Cc1cc(C)n(CC(=O)N2C[C@H](O)[C@@]3(C2)[C@H](CO)[C@H]3c2ccccc2)c(=O)n1 | 0.549727 |
Cc1nnc2n1C[C@@H](C(=O)O)N(C(=O)Cc1ccc(Cl)cc1)C2 | CCc1ncc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)N3CCC(C)CC3)C2)[nH]1 | 0.59979 |
Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(S)n3-c3cnn(Cc4ccc(Cl)cc4)c3)c12 | CCn1c(C)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1C | 0.554205 |
O=C(Cc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 | Cc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)n[nH]1 | 0.541111 |
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc3c(c2)OCO3)c1 | O=C1CC[C@H]2[C@H](CCN2Cc2nccs2)N1Cc1ccncc1 | 0.573069 |
CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(C(=O)CCCC(=O)O)C[C@H]3C[C@@H]21 | CCc1c(-c2nn3c(Cc4ccccc4)nnc3s2)cnn1-c1ccccn1 | 0.726083 |
CN(C(=O)c1ccc2cccc(F)c2n1)C1CCS(=O)(=O)CC1 | Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1-c1ccccc1 | 0.574468 |
CCN(CC)c1cc2c(cc1NC(=O)c1cccc(Br)c1)n(C)c(=O)n2C | COCCCN1CC2(CCN(C(=O)c3c(F)cccc3OC)CC2)CC1=O | 0.504961 |
CCCCn1nc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c2ccccc2c1=O | Cn1nc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)ccc1=O | 0.662611 |
CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)NC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 | Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@H]3C(=O)c2ccc(Cl)cc2)c(C)c1 | 0.792208 |
CC[C@H](N[C@@H](CC)c1c(C)noc1C)c1ccccc1O | CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl | 0.57716 |
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21 | O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CC[C@H]2CCCC[C@@H]2C1 | 0.765396 |
CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1CC | C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 | 0.608506 |
Cc1c(N[C@H]2CCOC3(CCC3)C2)cccc1N1C(=O)N[C@H](C)C1=O | O=C1C[C@H](c2ccco2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1 | 0.660896 |
CCOC(=O)c1cc(-c2ccccc2)nc2nc(SC)[nH]c(=O)c12 | Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 | 0.647727 |
CN(C)[C@H](CNCc1cc(O)c2cccc(F)c2n1)c1ccco1 | CN1C(=O)C[C@@H](C(=O)O)C12CCN(C(=O)CCc1c[nH]c3ccccc13)CC2 | 0.529347 |
O=C(Nc1nnc(S(=O)(=O)NCc2ccc3c(c2)OCO3)s1)c1ccccc1 | O=C([C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)N1CCCNCC1 | 0.587396 |
CCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 | COc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)ccc1F | 0.501087 |
COC(=O)c1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 | O=C1N=C(O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 | 0.777448 |
CC(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 | CCN1CCN(C(=O)c2ccc(N3CCC(N4CCOc5ccccc5C4)CC3)cc2)CC1 | 0.559574 |
Cc1ocnc1C(=O)N1CCC[C@@H]1c1cncc(CN(C)C)n1 | COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 | 0.539804 |
CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(C(=O)c1ccccc1)CC2 | NCCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 | 0.565502 |
CN(CC(=O)NC(C)(C)C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 | Cc1nc2ccc(F)cc2c(O)c1CN1CCC[C@@H](C)C1 | 0.571728 |
Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 | CC(C)Nc1ncccc1C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 | 0.580756 |
O=C(COc1cccc(C(F)(F)F)n1)Nc1cc(F)ccc1F | O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O)Nc1ccccc1F | 0.51199 |
COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1CCO[C@@H]1O2 | N=C(O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C1 | 0.785288 |
c1c[nH]c(CN2CCCn3nc(CN4CCN5CCCC[C@H]5C4)cc3C2)n1 | O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2cc(Cl)ccc2O)[nH]n1 | 0.529279 |
CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc(-n2cnnn2)c1 | Cc1noc(CNC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)n1 | 0.51606 |
CC[C@@H](C)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC | CCc1ccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 | 0.685832 |
CCc1nccn1CC(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2 | COc1ccc(-c2cc3nn(CC(=O)N(C)c4cccc(Cl)c4)c(=O)n3c(C)n2)cc1 | 0.639378 |
CCn1c([C@@H]2CCCN2C(=O)CCC(C)C)nc2ccccc21 | C#CCOc1ccccc1CN1CCC[C@@H](c2nnc3ccccn23)C1 | 0.561404 |
CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(N)=O)C1 | CC(C)n1cnc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 | 0.692142 |
CC[C@@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12 | O=C(CNc1nccc(Oc2ccc(F)cc2)n1)N1CCc2ccccc2C1 | 0.504122 |
COc1ccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1S(=O)(=O)N1CCCC[C@H]1C | O=C1CCc2c(OC[C@]3(O)CCN(c4c(F)cc(Cl)cc4F)C[C@H]3O)ccc(F)c2N1 | 0.705403 |
COc1cc(CCC(=O)N2CCOC[C@H]2c2nc(C)no2)ccc1OCC(F)(F)F | O=C(OCc1nnc(-c2ccccc2Cl)o1)[C@@H]1C[C@H]1c1ccco1 | 0.576635 |
Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1cccs1 | O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc(-c3cccs3)nn12 | 0.704296 |
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(-c2ccccc2)n1 | COC(=O)C1(C(=O)N2CC(C)(C)[C@H]2c2nccn2C2CC2)CC1 | 0.562701 |
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(C)cc2)cc1 | CCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 | 0.613938 |
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 | CCCc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)n(C)n1 | 0.503991 |
COc1ccc(OC[C@H](O)Cn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 | C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCc2ccccc21 | 0.695742 |
Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)s2)cc1 | CCCC(=O)N1CCn2cc(CC(=O)N3CC=CC3)nc2[C@@H]1C | 0.50385 |
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 | COc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc(OC)c1OC | 0.72579 |
Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 | CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)ccc1O | 0.531672 |
O=C1NCCN(C(=O)c2ccco2)[C@H]1c1ccccc1C(F)(F)F | Cc1cc(N2CCN(C)CC2)ccc1NCc1ccccc1-c1ccnn1C | 0.545748 |
Cc1c(C(=O)OC[C@@H]2CC=CC[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(C)cc3)ccc2Cl)cc1 | 0.552743 |
C=CCNc1nn(-c2ccc(C)cc2C)nc1C(=O)O | CCC(C)(C)[C@@H]1CCCN1C(=O)CCn1c(S)nc2ccccc2c1=O | 0.501099 |
C/C(O)=C1C(=N/C(=O)c2ccc(F)cc2)/C[C@H]2[C@@H]/1C2(C)C | Cc1ccccc1-n1nc2c(c1NC(=O)[C@H](C)Oc1ccccc1)C[S@@](=O)C2 | 0.560166 |
O[C@@]1(c2ccccc2)CCC[C@H]2CN(c3cncc4nccn34)C[C@H]21 | Cc1noc([C@@H]2CCN(C(=O)c3occc3C)C2)n1 | 0.545838 |
CCCN1CCC(CC(=O)N2CCCC[C@H]2c2nc(C(C)C)no2)CC1 | Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)n1 | 0.521081 |
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c1C | COc1ccc(OC)c(C2=NO[C@]3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c1 | 0.793 |
O=C([C@@H]1CCCCO1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 | CCCCn1c(N)c(C(=O)NCCC)c2nc3ccccc3nc21 | 0.689796 |
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCCc1nnc2ccccn12 | C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1=O | 0.688139 |
CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCC(C)C)c1)CC(O)=N2 | CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 | 0.610459 |
O=C(N[C@@H]1CCC12CCN(C(=O)c1cccnc1)CC2)c1cnccn1 | CNC(=O)c1cc(NC(=O)c2ccc3n2CCN[C@@H]3C)cc(C(=O)NC)c1 | 0.531003 |
O=C(OC/C(O)=N/c1ccc2ccccc2c1)c1cc(=O)c2ccccc2o1 | Cc1cccc(Cn2cc(N3C(=O)[C@@H]4[C@H](C3=O)[C@H]3CC[C@@H]4O3)cn2)c1 | 0.506623 |
COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1OC | COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1ccc2c(c1)OCO2 | 0.601677 |
CCOCC(=O)Nc1cc(Cl)ccc1C | CC[C@@H](C(=O)c1cccc(Cl)c1)S(=O)(=O)CC | 0.305691 |
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O | C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 | 0.567508 |
COc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 | CN(Cc1ccco1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 | 0.598974 |
Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc2c(c1)OCO2 | COc1ccc2c(OCc3csc([C@@H]4CCCO4)n3)ccnc2c1 | 0.5662 |
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@@H]1C=C[C@@H]2C12CC2 | Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C1)O2 | 0.544248 |
Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 | Cc1c(O)nc2ccccc2c1C(=O)N1CC=C(c2ccnn2C)CC1 | 0.613076 |
Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC=C4)C2)n[nH]1 | O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F | 0.515535 |
Cc1ccccc1[C@@H](CC(=O)N1CC[C@@](CO)(c2ccccc2)C1)NC(N)=O | CCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 | 0.548701 |
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 | CC(C)CN1C(=O)/C(=C/C(=O)O)c2cccc(F)c21 | 0.689447 |
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 | Cc1c(/C=N/N=c2/sc3ccccc3n2C)n(C)n(-c2ccccc2)c1=O | 0.585774 |
O=C(c1ccccc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2CC1CC1 | COc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 | 0.627812 |
Cc1ccc(OCc2nnc(NC(=O)c3ncoc3-c3cccc(C)c3)s2)cc1 | CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O | 0.657292 |
COc1ccccc1NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 | CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl | 0.556069 |
O=C(COc1ccc2ccccc2c1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O | CC(=O)Nc1cccnc1NC(=O)c1sc(C2CCCC2)nc1C | 0.599369 |
C[C@@H]1Cc2c(C(=O)N3CCN(c4cccnc4)CC3)nn(C)c2[C@H](C)O1 | CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 | 0.6476 |
O=C1/C(=C/c2cccc3c2OCO3)NC(=S)N1c1ccccc1Cl | O=S1(=O)C[C@@H]2[C@@H](C1)N=C(SCc1ccc(Br)cc1)N2c1ccc(Cl)cc1 | 0.664241 |
COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(F)cc1 | CN1CCC2(CCCN(C(=O)c3ccsc3)[C@@H]2CNC(=O)N(C)C)CC1 | 0.540163 |
Cc1nc(NC(=O)CCc2nc3ccccc3n(C)c2=O)sc1C | Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 | 0.632196 |
O=C1c2ccccc2C(=O)N1CCCc1nc(CS(=O)(=O)c2ccccc2)no1 | Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCOc4ccc(F)cc43)c2c1C | 0.614035 |
CSc1ccc2cc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)c(Cl)nc2c1 | CC(C)CCc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)n[nH]1 | 0.505219 |
O=C(NCc1cccnc1)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 | Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c1C | 0.623932 |
Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)cc3)nn12 | CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1c[nH]c2ccc(OC)cc12 | 0.724036 |
C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)NC[C@H]3C2)(c2ccccc2)CC1 | CN1[C@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@@H](c2ccc(F)cc2)NS1(=O)=O | 0.571121 |
C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)O)o1 | CN(C)C[C@]1(O)CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C1 | 0.609293 |
COc1ccc([C@@H]([C@@H]2C(=O)Oc3ccccc3C2=O)[C@H]2C(=O)Oc3ccccc3C2=O)cc1OC | Cc1cc(C)c2cc(CN(Cc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 | 0.564568 |
O=C1CCCC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2ccccc2F)N1 | CCOC(=O)c1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 | 0.632124 |
CCOC(=O)COc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N | Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1C(F)(F)F | 0.674675 |
CCn1cnc2c(=O)oc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3c21 | O=C(CCc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 | 0.545069 |
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)OC | CCc1c(NC(=O)N2CC[C@](N)(c3ccccc3)C2)cnn1-c1ccccc1C | 0.658537 |
Cc1cc(I)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl | COc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1 | 0.527512 |
CCNC(=O)C[C@H]1S/C(=N\c2ccc(Br)cc2)N(C)C1=O | Cc1ccc2occ([C@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)c2c1 | 0.525654 |
O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1C(=O)c1ccc(Cl)cc1 | CCn1c(SCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)nnc1-c1ccccc1C | 0.550162 |
COc1ccccc1CNC(=O)C(=O)NC[C@](O)(c1ccsc1)c1cccs1 | CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 | 0.668016 |
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C(OC(C)=O)OC(C)=O)C=C[C@H]2O1 | CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)CC)cc2c1 | 0.598361 |
CCOC(=O)c1c(NC(=O)CNc2cc(OC)c(OC)cc2C)sc(C(=O)NC)c1C | CCCN1CC[C@@H](CNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 | 0.569804 |
Nc1ncnc2c1nc(N/N=C/c1c[nH]c3ccccc13)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O | C[C@@H]1CN(C(=O)c2oc3ccccc3c2Cn2cccn2)CC(=O)N1 | 0.771543 |
COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCC4)[C@H](C)C2=O)cc1 | N#Cc1cc2c(nc1SCc1noc(C3CC3)n1)CCCC2 | 0.634274 |
O=C(C1CCC1)N1CCC[C@](C(=O)NCC(F)(F)F)(n2ccnc2)C1 | O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CCS(=O)(=O)C1 | 0.534002 |
Subsets and Splits