Iap

Reference Set (142 Compounds)

$COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O ZINC000003872925$

ZINC000003872925 (search)

O=C(COC(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000005699602

ZINC000005699602 (search)

Cc1ccc(Cl)c2c(C3=NC(=S)NC3=O)c(O)[nH]c12 ZINC000049581316

ZINC000049581316 (search)

$O=[N+]([O-])c1ccccc1/N=C(\S)N/N=C/c1ccc(O)c(O)c1 ZINC000013878667$

ZINC000013878667 (search)

$N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1 ZINC000003871438$

ZINC000003871438 (search)

O=C(CSc1ncn[nH]1)CSc1ncn[nH]1 ZINC000013571460

ZINC000013571460 (search)

CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000009302700

ZINC000009302700 (search)

N#Cc1c(SCC(=O)Nc2nccs2)sc2c(O)cc(=O)[nH]c12 ZINC000013119382

ZINC000013119382 (search)

O=C(N/N=C/c1ccc(O)cc1O)C(=O)N/N=C/c1ccc(O)cc1O ZINC000001684672

ZINC000001684672 (search)

O=C(COC(=O)COc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000006049255

ZINC000006049255 (search)

CCCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C ZINC000011839459

ZINC000011839459 (search)

$FC(F)Sc1ccc(N/C(S)=N\C(c2ccccc2)c2ccccc2)cc1 ZINC000013636254$

ZINC000013636254 (search)

$O=c1[nH]c(/C=C\c2ccc(O)c(O)c2)nc(O)c1[N+](=O)[O-] ZINC000009010329$

ZINC000009010329 (search)

CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1 ZINC000013116652

ZINC000013116652 (search)

O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1ccccc1 ZINC000000969850

ZINC000000969850 (search)

Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000000119988

ZINC000000119988 (search)

O=C(O)CCCN1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000012733608

ZINC000012733608 (search)

$Cc1ccc(N/C(S)=N\Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013682960$

ZINC000013682960 (search)

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC ZINC000001279413

ZINC000001279413 (search)

Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O ZINC000004662625

ZINC000004662625 (search)

O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O ZINC000008995875

ZINC000008995875 (search)

CNc1nnc(-c2cc3ccccc3oc2=O)s1 ZINC000000424286

ZINC000000424286 (search)

$CCN1/C(=C/C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21 ZINC000004824262$

ZINC000004824262 (search)

Oc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1O ZINC000001149016

ZINC000001149016 (search)

O=C(CN1CCN(c2ccccc2F)CC1)c1ccc(O)c(O)c1 ZINC000036227676

ZINC000036227676 (search)

O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000004096845

ZINC000004096845 (search)

O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2o1 ZINC000008677575

ZINC000008677575 (search)

$C/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1 ZINC000005861777$

ZINC000005861777 (search)

NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 ZINC000002362871

ZINC000002362871 (search)

CCn1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c1C ZINC000012024496

ZINC000012024496 (search)

COCc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)o1 ZINC000012458060

ZINC000012458060 (search)

Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)c1 ZINC000008685972

ZINC000008685972 (search)

COc1cc(/C=N/N2C(=O)CSC2=S)ccc1O ZINC000000976676

ZINC000000976676 (search)

Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2ncn[nH]2)c1 ZINC000005447759

ZINC000005447759 (search)

N#Cc1c(SCC(=O)Nc2nncs2)sc2c(O)cc(=O)[nH]c12 ZINC000013119383

ZINC000013119383 (search)

NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1 ZINC000012678957

ZINC000012678957 (search)

Cc1ccc(CNC(=S)NC2CCC(C(C)(C)C)CC2)cc1 ZINC000013775352

ZINC000013775352 (search)

O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1 ZINC000015935573

ZINC000015935573 (search)

COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000015936477

ZINC000015936477 (search)

NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(N)(=O)=O)ccc12 ZINC000002184288

ZINC000002184288 (search)

O=c1oc2cc(O)ccc2s1 ZINC000000002181

ZINC000000002181 (search)

COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000000615028

ZINC000000615028 (search)

O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)O1 ZINC000061959137

ZINC000061959137 (search)

CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000015935167

ZINC000015935167 (search)

O=C(N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12)c1cc(O)cc(O)c1 ZINC000015934337

ZINC000015934337 (search)

Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1 ZINC000006269491

ZINC000006269491 (search)

Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)s1 ZINC000036470803

ZINC000036470803 (search)

$O=S(=O)(c1ccc(N/C(S)=N\N=C\c2ccc(O)c(O)c2)cc1)N1CCOCC1 ZINC000013597888$

ZINC000013597888 (search)

O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000004098644

ZINC000004098644 (search)

O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(C(=O)O)cc1 ZINC000000547210

ZINC000000547210 (search)

COc1cccc([C@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000609101

ZINC000000609101 (search)

$O=C1/C(=C\c2cccc(O)c2O)SC(=S)N1Cc1ccccc1 ZINC000012729753$

ZINC000012729753 (search)

O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000059764685

ZINC000059764685 (search)

S=C(NCc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000015940933

ZINC000015940933 (search)

Cc1ccc(N/C(N)=N/c2nc(C)cc(N3CCCCC3)n2)c(C)c1 ZINC000013522694

ZINC000013522694 (search)

Cc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccc(C(F)(F)F)c2)on1 ZINC000036384167

ZINC000036384167 (search)

COC(=O)C/C=N/NC1=NC(=O)/C(=C/C(=O)O)S1 ZINC000004807190

ZINC000004807190 (search)

O=C(NC1CCCCC1)Oc1cc2oc(=O)sc2cc1Cl ZINC000000062338

ZINC000000062338 (search)

O=C(NN1C(=O)CSC1=S)C(=O)NN1C(=O)CSC1=S ZINC000003238237

ZINC000003238237 (search)

CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000013544880

ZINC000013544880 (search)

Cc1cccnc1Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000000202242

ZINC000000202242 (search)

COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000009688666

ZINC000009688666 (search)

O=C1CSC(=S)N1/N=C/c1ccc(O)c(O)c1O ZINC000003277012

ZINC000003277012 (search)

O=C(O)Cc1ccc(O)c(O)c1 ZINC000000388555

ZINC000000388555 (search)

N#CC(C#N)=Cc1ccc(O)c(O)c1 ZINC000000015331

ZINC000000015331 (search)

Cc1c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cnn1C ZINC000011933139

ZINC000011933139 (search)

C[N+](C)(C)[C@@H](Cc1ccccc1)C(=O)O ZINC000013660064

ZINC000013660064 (search)

COc1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1 ZINC000015933642

ZINC000015933642 (search)

$N=C1NC(=O)/C(=C\c2ccco2)S1 ZINC000004357465$

ZINC000004357465 (search)

O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1O ZINC000001214940

ZINC000001214940 (search)

O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 ZINC000036250250

ZINC000036250250 (search)

CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000008400232

ZINC000008400232 (search)

O=C1Nc2ccccc2/C1=N/N=C/c1ccc(O)c(O)c1 ZINC000013638060

ZINC000013638060 (search)

$COc1cccc(N/C(S)=N\CCC(c2ccccc2)c2ccccc2)c1 ZINC000013482593$

ZINC000013482593 (search)

Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000015936482

ZINC000015936482 (search)

Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=S)NCc2ccccc2)C3)cc1 ZINC000001377628

ZINC000001377628 (search)

CCOc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c3oc(=O)sc3c2)cc1 ZINC000018191556

ZINC000018191556 (search)

O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1O ZINC000001672250

ZINC000001672250 (search)

CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)-c1cc(O)c(O)cc1CC2 ZINC000005854636

ZINC000005854636 (search)

$FC(F)Oc1ccc(N/C(S)=N\[C@@H]2CCSc3ccccc32)cc1 ZINC000005225411$

ZINC000005225411 (search)

Cn1nc([N+](=O)[O-])nc1S(C)(=O)=O ZINC000005045638

ZINC000005045638 (search)

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000072145338

ZINC000072145338 (search)

O=C(N/N=C/c1cccnc1)c1cc(O)c(O)c(O)c1 ZINC000000253310

ZINC000000253310 (search)

Cc1cc(O)c(Sc2ncn[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004735772

ZINC000004735772 (search)

O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 ZINC000005348669

ZINC000005348669 (search)

O=C1CNC(=S)N1CCc1ccc(O)c(O)c1 ZINC000000076796

ZINC000000076796 (search)

COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000061958729

ZINC000061958729 (search)

$COc1cc(C(=O)NN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)ccc1O ZINC000001776024$

ZINC000001776024 (search)

$O=C(O)c1ccccc1-c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)o1 ZINC000006549273$

ZINC000006549273 (search)

CC(C)(C)c1ccc(O)c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000013111795

ZINC000013111795 (search)

$O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O ZINC000009429761$

ZINC000009429761 (search)

O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000001029047

ZINC000001029047 (search)

CCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)Nc2cccc(OC)c2)c1 ZINC000008683003

ZINC000008683003 (search)

S=C(NCc1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000003231695

ZINC000003231695 (search)

CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 ZINC000000293662

ZINC000000293662 (search)

S=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 ZINC000001169929

ZINC000001169929 (search)

$N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 ZINC000005163124$

ZINC000005163124 (search)

Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1 ZINC000008689993

ZINC000008689993 (search)

$CCOc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O ZINC000008456809$

ZINC000008456809 (search)

CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1 ZINC000002685045

ZINC000002685045 (search)

O=C(c1c(O)cc(O)cc1O)[C@H]1c2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@@H](O)C3)O[C@H]1c1ccc(O)cc1 ZINC000038146177

ZINC000038146177 (search)

Cc1nn(C(C)C)c(C)c1CN1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000012709694

ZINC000012709694 (search)

C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000002810496

ZINC000002810496 (search)

O=c1oc(-c2ccc(O)c(O)c2)cc2cc(O)cc(O)c12 ZINC000015112397

ZINC000015112397 (search)

Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000006477456

ZINC000006477456 (search)

O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1sc2ccccc2c1Cl ZINC000000585178

ZINC000000585178 (search)

CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025747661

ZINC000025747661 (search)

Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1O ZINC000000056584

ZINC000000056584 (search)

O=C1Nc2ccc(Br)cc2[C@]12NNc1ccccc1O2 ZINC000003416064

ZINC000003416064 (search)

Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1 ZINC000008829797

ZINC000008829797 (search)

CCn1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C ZINC000012001911

ZINC000012001911 (search)

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000100191509

ZINC000100191509 (search)

O=C(O)CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 ZINC000000828930

ZINC000000828930 (search)

CCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)Nc2ccccc2)c1 ZINC000008683004

ZINC000008683004 (search)

COc1ccc(C(=O)OCC(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC ZINC000009777994

ZINC000009777994 (search)

O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1ccc(O)c(O)c1 ZINC000002628213

ZINC000002628213 (search)

$NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nn3c2nc2c(c3=O)CCCC2)cc1 ZINC000100560427$

ZINC000100560427 (search)

O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C2CCC2)CC1 ZINC000011772522

ZINC000011772522 (search)

O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 ZINC000005348994

ZINC000005348994 (search)

$NS(=O)(=O)c1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)cc1 ZINC000005770085$

ZINC000005770085 (search)

O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(C(=O)O)c1 ZINC000000377276

ZINC000000377276 (search)

S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000001214111

ZINC000001214111 (search)

C=CCn1c(O)c(N=Nc2ccccc2O)c2ccccc21 ZINC000253986279

ZINC000253986279 (search)

CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000009688668

ZINC000009688668 (search)

Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 ZINC000001370614

ZINC000001370614 (search)

Cc1nonc1C(=O)N/N=C/c1ccc(O)c(O)c1 ZINC000000370041

ZINC000000370041 (search)

C[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356960

ZINC000004356960 (search)

COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC ZINC000103261933

ZINC000103261933 (search)

Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000103262824

ZINC000103262824 (search)

COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000103262828

ZINC000103262828 (search)

COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC ZINC000103261972

ZINC000103261972 (search)

COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC ZINC000103262001

ZINC000103262001 (search)

N#Cc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000103261936

ZINC000103261936 (search)

COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000103261974

ZINC000103261974 (search)

COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000103262831

ZINC000103262831 (search)

COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000103261938

ZINC000103261938 (search)

O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2c(c1)OCO2 ZINC000020994445

ZINC000020994445 (search)

O=C(CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCCc1ccc(O)cc1 ZINC000103261976

ZINC000103261976 (search)

N#Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000103262834

ZINC000103262834 (search)

COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1 ZINC000103261983

ZINC000103261983 (search)

COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000103261980

ZINC000103261980 (search)

O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc(O)c(O)c1 ZINC000103261942

ZINC000103261942 (search)