gld-1

Reference Set (55 Compounds)

Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000004016552

ZINC000004016552 (search)

Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)cc1 ZINC000006146736

ZINC000006146736 (search)

CCCCn1c(=O)[nH]c2nc3cc(NC(C)=O)ccc3nc2c1=O ZINC000009066439

ZINC000009066439 (search)

$CN(C)c1ccc(/N=C2\C(=O)N(C)c3cccc4c(O)c5ccccc5c2c34)cc1 ZINC000101882746$

ZINC000101882746 (search)

C=CCNC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-] ZINC000003261436

ZINC000003261436 (search)

O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1 ZINC000018804836

ZINC000018804836 (search)

Nc1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000006045716

ZINC000006045716 (search)

$COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1O ZINC000006046667$

ZINC000006046667 (search)

Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1 ZINC000013114169

ZINC000013114169 (search)

Cc1ccc2c3c(cccc13)-c1ccccc1C2=O ZINC000004416258

ZINC000004416258 (search)

CCCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000023077938

ZINC000023077938 (search)

Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000004119300

ZINC000004119300 (search)

O=c1[nH]c2cc3ccccc3cc2nc1C(F)(F)F ZINC000005889485

ZINC000005889485 (search)

COc1cc(O)cc2cc3c(c(O)c12)C(=O)C[C@@](C)(O)O3 ZINC000003604261

ZINC000003604261 (search)

Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000003860170

ZINC000003860170 (search)

CC(C)CCN(C(=O)CCCSc1nc2ccccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012520184

ZINC000012520184 (search)

O=C(O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O ZINC000000335846

ZINC000000335846 (search)

COc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1OC ZINC000013114102

ZINC000013114102 (search)

Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1 ZINC000001156928

ZINC000001156928 (search)

Cc1ccc[n+](C2=NC(=O)S/C2=C/NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000038191467

ZINC000038191467 (search)

CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008686587

ZINC000008686587 (search)

O=C1C2=C(SCCS2)C(=O)N1CCCO ZINC000002875086

ZINC000002875086 (search)

O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000008734664

ZINC000008734664 (search)

Nc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC000003897245

ZINC000003897245 (search)

CN(C(=O)CN1C(=O)c2cccc(N)c2C1=O)C1CCCCC1 ZINC000007978415

ZINC000007978415 (search)

COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000000157923

ZINC000000157923 (search)

Cc1c(O)ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc12 ZINC000006736738

ZINC000006736738 (search)

Cn1c(=O)cc2c3c(c(N4CCCCC4)ccc31)C(=O)c1ccccc1-2 ZINC000002348208

ZINC000002348208 (search)

Nc1cccc2c1C(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000003444308

ZINC000003444308 (search)

Nc1cc2nc3ccccc3nc2cc1N ZINC000003878528

ZINC000003878528 (search)

COc1ccc(-c2nc(C[S@@+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1 ZINC000004924662

ZINC000004924662 (search)

Cc1ccccc1/N=C(/N)Nc1ccccc1C ZINC000005420178

ZINC000005420178 (search)

COCCOC(=O)c1sc(=S)n(CCOC)c1N ZINC000003287199

ZINC000003287199 (search)

Cc1c(O)ccc(-c2[nH]nc(C(=O)O)c2-c2nc3ccccc3s2)c1O ZINC000006812752

ZINC000006812752 (search)

O=C1c2ccccc2C(=O)c2c1cccc2N(CCO)CCO ZINC000004859667

ZINC000004859667 (search)

CC(=O)Nc1ccc2nc3ccccc3nc2c1 ZINC000004812274

ZINC000004812274 (search)

COC(=O)c1ccc2c(c1)SC1C(=O)CCCC1=N2 ZINC000101959436

ZINC000101959436 (search)

O=C1CC(=O)c2cccc3cccc1c23 ZINC000100081252

ZINC000100081252 (search)

COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3ccnc(c13)C2=O ZINC000001726301

ZINC000001726301 (search)

Nc1nnnn1/N=C/c1cc(Cl)ccc1O ZINC000000314285

ZINC000000314285 (search)

CCOC(=O)c1nc[nH]c1N=Nc1c(O)ccc2ccccc12 ZINC000252625207

ZINC000252625207 (search)

COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1 ZINC000019096771

ZINC000019096771 (search)

C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NCc1ccco1 ZINC000006831879

ZINC000006831879 (search)

O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 ZINC000003861633

ZINC000003861633 (search)

COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1 ZINC000000157948

ZINC000000157948 (search)

CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000003812842

ZINC000003812842 (search)

CC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1 ZINC000003207131

ZINC000003207131 (search)

Nc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 ZINC000001029957

ZINC000001029957 (search)

O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)NCc1ccccc1 ZINC000000270824

ZINC000000270824 (search)

C=CCc1cccc(/C=N/n2c(C)nnc2C)c1O ZINC000000228479

ZINC000000228479 (search)

O=C(O)c1ccccc1N=Nc1ccc(O)cc1 ZINC000253982848

ZINC000253982848 (search)

c1cc2c3c(cccc3c1)C(N1CCOCC1)=N2 ZINC000000127455

ZINC000000127455 (search)

COc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cn1 ZINC000003350772

ZINC000003350772 (search)

C[C@@H]1CN(C2=Nc3cccc4cccc2c34)C[C@@H](C)O1 ZINC000003218895

ZINC000003218895 (search)

CCN1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)O)c2C1 ZINC000005131348

ZINC000005131348 (search)