p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1ccc(C)c(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2C)c1 | Cc1ccccc1OCC(=O)NCc1nn(C)c2c1COCC2 | 0.519608 |
O=C(O)[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2C=C[C@@H]1C2 | NC(=O)[C@H]1c2ccccc2CCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O | 0.509934 |
COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c[nH]nc1C(F)(F)F | C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 | 0.569755 |
COc1ccccc1-n1cnnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O | Cc1nn(CC(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)c(C)c1C | 0.636364 |
O=C(NS(=O)(=O)c1cc[nH]n1)c1cc2c(C(F)(F)F)cccc2s1 | CC[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 | 0.658537 |
Cc1cc(C)c(NC(=O)/C=N/OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Cl)c1 | O=C(c1cncc(-c2cccc3ccnn23)n1)N1CCOCC1 | 0.627451 |
O=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCCC1 | Cc1ccn(CCC(=O)NC[C@]2(O)CCN(c3ccc(F)cn3)C2)n1 | 0.606996 |
Cc1c(C(=O)N2CCc3sccc3[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 | Cc1n[nH]c(C)c1CN1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 | 0.50501 |
Cc1nc(-c2ccc(Oc3nc(-c4ccncc4)nc4ccccc34)cc2)no1 | Cc1cc(=O)cc(C(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)[nH]1 | 0.56869 |
Cc1ccsc1S(=O)(=O)N1CC[C@]2(CC[C@H](C(=O)Nc3cccnc3)O2)[C@H](C)C1 | CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC | 0.501092 |
Cc1ccc(/N=C2\SCC(C)(C)N2C(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1 | Cn1cc(CN2CCC(F)(F)[C@]3(CCN(c4ncc(F)cn4)C3)C2)cn1 | 0.605344 |
CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)C1=O | C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)CS2 | 0.637787 |
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 | O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCCC4)C3)N2C1 | 0.523614 |
COc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 | CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1nccs1 | 0.607179 |
O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)o1 | COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCC(N)=O)cc1OC | 0.502358 |
CN(C)CCN(CC1CCCCC1)C(=O)c1cnc2c(c1)nnn2C | CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21 | 0.614519 |
CCCN1CCC(N(C)C(=O)Cn2c(C)cc(O)cc2=O)CC1 | Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(C(=O)O)cc2)c1 | 0.54509 |
C[C@@H]1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1 | COCCc1nc2ccc(C(=O)NCCc3nc4ccc(OC)cc4[nH]3)cc2o1 | 0.549676 |
COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3F)n12 | Cc1ccc(CN2C(=O)/C(=C/c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 | 0.694416 |
C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCO1 | CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1 | 0.53526 |
O=C(NCc1cc2n(n1)CCNC2)c1cc(F)c(F)cc1Cl | COc1ccc(-c2csc(NC(=O)[C@@H](C)S(C)(=O)=O)n2)cc1Cl | 0.5 |
CCCCNC(=O)CSc1nnc(C)n1-c1ccc(OCC)cc1 | COc1ccc(-n2c(SCC(N)=O)nnc2-c2cc(Cl)ccc2OC)cc1Cl | 0.615558 |
CCCCn1nc(C(=O)N(C)Cc2ccc(Br)s2)ccc1=O | Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)c1 | 0.556399 |
CCN(CC)CCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@H]1CCCO1 | Cc1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(OC[C@H]2CCOC2)c1 | 0.541667 |
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 | Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C | 0.588667 |
CN1C(=O)C[C@H](CO)[C@H]1c1cccc(Cl)c1 | CC[C@@H](N)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21 | 0.521991 |
Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)n1 | Cc1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc(S(=O)(=O)N(C)C)c1C | 0.522307 |
O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2ccccn2)C1 | CC[C@H](c1nnc(SCC(=O)NCc2ccco2)n1Cc1ccccc1)N(C)C | 0.632135 |
Cc1nc([C@@H]2CCCN(Cc3[nH]nc(C)c3Cl)C2)n[nH]1 | Cc1ccc(CNC(=O)c2c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)sc3c2CCC3)cc1 | 0.503158 |
CSc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](c4nc[nH]n4)C3)CC2=O)cc1 | CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)C2CC2)C1 | 0.524123 |
NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccccc2)CCO1 | O=C(Cc1nc2ncccn2n1)N[C@H]1CCCc2ccccc21 | 0.553633 |
CCOC(=O)[C@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)C1 | C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2CCOC)cc1 | 0.788634 |
CNc1nc(C)cc(-c2cnn(CC(=O)Nc3ccnn3CC(C)C)c2)n1 | O=C(NC1(C(=O)O)CCCCC1)c1ccc(-c2ccc(F)cc2)s1 | 0.5 |
Cc1nc(C(=O)NCCOc2cccc(CN(C)Cc3cccc4cccnc34)c2)cs1 | CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 | 0.559824 |
O=C(c1ncc(F)cc1F)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 | Cc1nc2sccn2c1CN1CCN(C2CCN(C(C)C)CC2)[C@H](CCO)C1 | 0.569704 |
Cc1nc(O)c2c(n1)CN(C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 | Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(SCc2cccc(C(F)(F)F)c2)o1 | 0.544469 |
Cn1c(SCC2=N[C@H]3C=CC=C[C@H]3C(=O)N2)nnc1-c1cc2ccccc2o1 | Cc1coc(-c2cc(NC(=O)c3[nH]nc4c3CCCC4)ccc2C)n1 | 0.728762 |
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CCCCC3)c2)CC1 | O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cc(O)nc2cc(F)ccc12 | 0.564619 |
O=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1)Nc1cccc(F)c1 | O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1ccsc1)C2 | 0.50814 |
O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1csc(-c2ccccc2)n1 | CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)Cc1ccc2nn[nH]c2c1 | 0.502203 |
Cc1nc(C)c(C)c(N2CCC(NC(=O)c3ccccc3C)CC2)n1 | Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3c(c1)NC(=O)CS3)C2 | 0.599778 |
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cn(C)nc2C)n2ncnc2N1 | Cc1ccc(-n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1C | 0.582495 |
CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(Cl)c4)c3)c2)n1 | CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(CC)CC)cc1 | 0.573262 |
Cc1c(Cl)cccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 | CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccncc1 | 0.803165 |
Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCC([C@@H](O)c4cccs4)CC3)o2)c1C | CN(CC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)C(=O)c1nc[nH]n1 | 0.501601 |
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccccc1OC | Cc1ccsc1C=C1C(=O)OC2(CCCCC2)OC1=O | 0.529179 |
COc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2 | Cc1c(CN2CCO[C@@H](CCN)C2)[nH]c2c(Cl)cccc12 | 0.605181 |
Cc1noc(C)c1CC(=O)NCCn1ccc2ccc(Br)cc21 | CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n(C)n1 | 0.546739 |
CO[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[C@@]12CCCO2 | Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Br)C1=C(CCCC1=O)N2 | 0.555666 |
CCCn1c(C)c(C(C)=O)c2cc(OC(C)C)ccc21 | C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC | 0.515393 |
N[C@@H]1c2ccccc2C2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)[C@H]1O | CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccccc1 | 0.809852 |
CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)COC3)n(C(C)(C)C)n1 | O=C(N1CCC2(CC1)OCCO2)C1(c2cccc(C(F)(F)F)c2)CCCC1 | 0.515521 |
CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1CC | COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H]1CCCN(C(=O)C(C)C)C1 | 0.540193 |
CCC[C@H]1Oc2ccc(OCC)cc2[C@H]2CC(c3ccccc3)=NN21 | CCCCN1C(=O)c2ccccc2[C@@H]1Nc1cccc([N+](=O)[O-])c1 | 0.622039 |
O=C(CN1C(=O)COc2cccnc21)N(Cc1ccccc1)C[C@H]1CCCO1 | CCOCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O | 0.724104 |
CCCCc1nc(C)c(C(=O)NCC2(C(N)=O)CCOCC2)s1 | COc1cccc(-c2cc(NC(=O)[C@H]3COCCO3)n(-c3ccc(C)cc3)n2)c1 | 0.533262 |
Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(CCc1c[nH]c3ccccc13)C2=O | Cc1cc(N(C)C)nc(N2CCN(c3cc(C#N)ccn3)CC2)n1 | 0.501066 |
COC(=O)CCN1CCc2c(c(C(=O)N3CCC[C@H](O)C3)nn2Cc2cccc(OC)c2)C1 | O=C(c1scc2c1OCCO2)N1CCCn2cncc2C1 | 0.73003 |
O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccco3)C1)C2 | c1cc(CN2CCN(c3ccc4nnnn4n3)CC2)cs1 | 0.544892 |
C[C@@H]1CO[C@H](CN(C)C(=O)N=c2nc3n([nH]2)CCCC3)C1 | CCc1c(-c2ccc(Br)cc2)n[nH]c1NS(=O)(=O)c1ccc(C#N)cc1 | 0.519168 |
CCc1cccc(C)c1Nc1nnc(Sc2ccc3nnnn3n2)s1 | C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 | 0.572503 |
COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nn(-c2ccccc2F)c(C)cc1=O | O=C1CC[C@@]2(C(=O)OCc3cnn(-c4ccccc4)c3)N1c1ccccc1C(=O)N2C1CC1 | 0.816749 |
Cc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)c1 | COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C)c1 | 0.54775 |
Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(Cl)cc2)c(C)c1 | Cc1cccc(N(C)S(=O)(=O)c2cnn3c2OCCC3)c1C | 0.672859 |
O=C(NCCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1)c1ccsc1 | CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O | 0.558215 |
Cc1nn(Cc2ccccc2C(=O)NC[C@@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] | COCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(-c4ccccc4)cn23)n(C)c1=O | 0.683417 |
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 | COCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O | 0.523008 |
COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc(C)[nH]c1=O | CC1(C)Cc2c(c(N3CCN(C(=O)c4ccco4)CC3)[nH]c(=S)c2C#N)CO1 | 0.604913 |
CCCCc1ccc(CN2CCCCCc3cc(C(=O)N(C)C)ccc3OC[C@@H](O)[C@@H](O)CC2)cc1 | CC1(C)CN(C(=O)c2coc(C3CC3)n2)c2ccc(Br)cc2O1 | 0.533044 |
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 | Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 | 0.54661 |
CN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)NC2CCCC2)CC3)C1=O | CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 | 0.55988 |
CCCc1cc(C(=O)OC)c(NC(=O)c2cccc(OCC)c2)s1 | COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)S3)cc1 | 0.638254 |
CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 | CC(C)COc1ccccc1[C@@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C | 0.759635 |
Cc1cc(NCCc2nc3ccccc3s2)n2nccc2n1 | Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc4nc[nH]c4cc2F)C3)n1 | 0.635163 |
Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cccc(=O)n1C | C[C@H](NC(=O)NCCc1c[nH]c2ccc(F)cc12)c1nccs1 | 0.537095 |
Cc1noc(C)c1CCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N | O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 | 0.557342 |
O=C(C1CC(F)(F)C1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cc(F)cn1)CO2 | CCC(=O)N1CCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2C1 | 0.517467 |
COC(=O)c1cnc(N2CCC[C@@H]2CN(C)C(=O)CC2(C)CCCCC2)nc1 | Nc1nc(COC(=O)c2c[nH]cc2-c2ccc(Cl)s2)nc2ccccc12 | 0.525727 |
Cc1ccc(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)cc1C | CCCN1CCC(N2C[C@@H](NCc3ccccc3C(F)(F)F)C[C@H]2C(=O)NCC)CC1 | 0.504144 |
O=C(NCc1ccoc1)[C@@H]1COCC(=O)N1Cc1ccccc1 | CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 | 0.535375 |
Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccc([N+](=O)[O-])cc1 | COc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCCC2)nnc1-c1cccs1 | 0.710526 |
Cc1nc(C)n(CCCNC(=O)Cn2ccc([C@@H]3CCCNC3)n2)n1 | Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 | 0.605847 |
CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccc2ccccc2n1 | COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nnc(C)s3)C2=O)cc1 | 0.646872 |
O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 | COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1ccccc1O)CC2 | 0.516201 |
CN1C(=O)C[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 | CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)c1=O | 0.555046 |
CCOC(=O)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)sc2c1CC[C@@H](C(C)(C)CC)C2 | COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc(Br)cc1 | 0.589249 |
COc1ccc(OC)c2sc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)nc12 | CN1CCc2c(NC(=O)N3CCOC[C@H]3C3CC3)cccc21 | 0.606061 |
O=C(O)c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 | Cc1cc2c(cc1S(=O)(=O)NCc1cccnc1)OCC(=O)N2 | 0.691617 |
CNC(=O)[C@@H]1CCCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 | O=C1N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 | 0.578675 |
COc1ccc2nc3c(cc2c1)[C@H](O)n1nc(-c2ccc(Cl)cc2)nc1S3 | COCc1nc([C@@H]2COCCN2C(=O)c2cccc3c2OCC3)no1 | 0.732802 |
CCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccc(Cl)cc1 | Cc1ccc([C@@H](CNC(=O)c2sccc2-n2cnnn2)N(C)C)cc1 | 0.64851 |
CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c1oc1cc(Cl)ccc12 | CCN(C(=O)c1ccccc1)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 | 0.628454 |
O=C(CCc1cc2n(n1)CCNC2)N1CCN(Cc2ccc(Cl)nc2)CC1 | Cc1cccn2c(=O)cc(CN(C)[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc12 | 0.558011 |
O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 | c1cnc(Nc2cc([C@H]3CCCN(c4ncccn4)C3)ccn2)nc1 | 0.511376 |
Cn1nccc1Cc1noc(Cc2c[nH]c3ccccc23)n1 | COc1cc2c(cc1OC)CN(C(=O)c1sc(-c3ccccn3)nc1C)CC2 | 0.615058 |
COc1ccc(OCCNS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 | Cn1cccc1CN(Cc1cccs1)C(=O)c1ccccc1S(=O)(=O)C(F)F | 0.542182 |
Cc1ccc(-c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c(Br)c1 | CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]1CCn2ccnc2C1 | 0.553797 |
Cc1c(I)cccc1-c1nc2ccc([N+](=O)[O-])cc2o1 | Cc1cc(C(=O)N2CCC[C@@]3(CCN3C[C@H]3CCCO3)C2)no1 | 0.532009 |
COC[C@@H](C)NS(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 | CCOc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1 | 0.536974 |
CC[C@H](O)CN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1 | O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1 | 0.501661 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.