Reference Set (61 Compounds)

CN(C)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 ZINC000000084951

ZINC000000084951 (search)

c1cc2nc(C3CC3)[nH]c2c2nsnc12 ZINC000017948583

ZINC000017948583 (search)

Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000008682406

ZINC000008682406 (search)

COc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccco4)CC3)n2n1 ZINC000061943388

ZINC000061943388 (search)

COc1cc(Br)cc(/C=N/NC(=O)[C@H](C)n2cc([N+](=O)[O-])c(OC)n2)c1O ZINC000000685908

ZINC000000685908 (search)

O=C(NC1CCCCC1)[C@H](c1cccnc1)N(C(=O)CCl)c1cccc(Cl)c1 ZINC000017441048

ZINC000017441048 (search)

O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1O ZINC000001953442

ZINC000001953442 (search)

COC(=O)c1cccc2c1-c1ccccc1/C2=N/O ZINC000100281717

ZINC000100281717 (search)

O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccccc1O ZINC000001959962

ZINC000001959962 (search)

CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1cc(O)cc(O)c1 ZINC000012411384

ZINC000012411384 (search)

O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccncc2)s1 ZINC000002586910

ZINC000002586910 (search)

Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cccc(O)c3O)cc2)n1 ZINC000003234418

ZINC000003234418 (search)

Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 ZINC000013786083

ZINC000013786083 (search)

COc1ccc(/C=C2\CC/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000004547063

ZINC000004547063 (search)

CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 ZINC000012906082

ZINC000012906082 (search)

Cc1ccccc1C(=O)C(C#N)N=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000253989066

ZINC000253989066 (search)

CNc1ncnc(Sc2nc(N)nc3[nH]cnc23)c1[N+](=O)[O-] ZINC000008565029

ZINC000008565029 (search)

COc1ccc2ncn(-c3ccccc3)c2c1 ZINC000000361259

ZINC000000361259 (search)

C=CCNc1ncnc2ccc(Br)cc12 ZINC000001766166

ZINC000001766166 (search)

COc1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000013130919

ZINC000013130919 (search)

Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(c2ccccc2)CC1 ZINC000003116847

ZINC000003116847 (search)

Cc1c2ccncc2cc2c1[nH]c1ccccc12 ZINC000013283118

ZINC000013283118 (search)

Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)c(C)c1 ZINC000009158992

ZINC000009158992 (search)

S=C(Nc1ccccc1)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000886876

ZINC000000886876 (search)

CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000042490720

ZINC000042490720 (search)

N#Cc1cc2ccncc2c2ccccc12 ZINC000001683113

ZINC000001683113 (search)

Cc1nn2c(=O)c(Cc3ccccc3)c(C)[nH]c2c1-c1ccc(Cl)cc1 ZINC000101860353

ZINC000101860353 (search)

CCCCN(CCCC)c1ncnc2[nH]cnc12 ZINC000013518595

ZINC000013518595 (search)

O=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)CCO ZINC000004836965

ZINC000004836965 (search)

O=C(CCC1CCCC1)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000000897976

ZINC000000897976 (search)

Fc1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000616986

ZINC000000616986 (search)

Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(c2ccc(F)cc2)CC1 ZINC000003116846

ZINC000003116846 (search)

O=C(c1ccncc1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000008606892

ZINC000008606892 (search)

O=[N+]([O-])c1ccc(N(CCO)CCO)c2c1no[n+]2[O-] ZINC000005339781

ZINC000005339781 (search)

O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061896462

ZINC000061896462 (search)

C=CCN1C(=O)NC(=O)/C(=C(/C)NCc2cc(OC)cc(OC)c2)C1=O ZINC000001283249

ZINC000001283249 (search)

C=C1C(=O)[C@]23C[C@@H]4[C@H]5[C@]67CCC[C@@]5(C)CN4[C@@H]6[C@@H]2C[C@H]1[C@H](O)[C@@H]73 ZINC000103109328

ZINC000103109328 (search)

CC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)C(C)C ZINC000036380874

ZINC000036380874 (search)

CCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O ZINC000013123617

ZINC000013123617 (search)

CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F ZINC000003022444

ZINC000003022444 (search)

Cn1c(=O)c2[nH]c(COc3ccc(C(C)(C)C)cc3)nc2n(C)c1=O ZINC000013597432

ZINC000013597432 (search)

COc1cc(/C=C2\SC(=N)NC2=O)cc(OC)c1 ZINC000005007272

ZINC000005007272 (search)

COc1ccc(Nc2ncnc3ccc(C)cc23)cc1 ZINC000000122930

ZINC000000122930 (search)

CC1(C)Cc2c(ccc3ccccc23)C(=O)N1 ZINC000000189898

ZINC000000189898 (search)

CCOc1cccc(/C=N/NC(=O)c2cccnc2)c1O ZINC000000227603

ZINC000000227603 (search)

C=CCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C ZINC000004386646

ZINC000004386646 (search)

COC(CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccccc1C)OC ZINC000004672286

ZINC000004672286 (search)

O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009663650

ZINC000009663650 (search)

COc1cc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc(OC)c1OC ZINC000003233903

ZINC000003233903 (search)

COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000001797112

ZINC000001797112 (search)

COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12 ZINC000000978319

ZINC000000978319 (search)

CC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)C1CC1 ZINC000036380877

ZINC000036380877 (search)

O=C(Nc1cccc2c1CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000000451730

ZINC000000451730 (search)

COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1 ZINC000002212525

ZINC000002212525 (search)

CC(C)n1c(-c2cccnc2)nc2cnccc21 ZINC000000520394

ZINC000000520394 (search)

c1cnc2ccc(-n3ccnc3)cc2c1 ZINC000072138634

ZINC000072138634 (search)

CC(=O)N1CCN(c2ccc(Oc3ncnc4sccc34)cc2)CC1 ZINC000003430638

ZINC000003430638 (search)

Cc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1 ZINC000013113930

ZINC000013113930 (search)

CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 ZINC000000175335

ZINC000000175335 (search)

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000003831128

ZINC000003831128 (search)

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C ZINC000013473931

ZINC000013473931 (search)