SRMS

Reference Set (68 Compounds)

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 ZINC000003986735

ZINC000003986735 (search)

CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 ZINC000022795012

ZINC000022795012 (search)

O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F ZINC000063298051

ZINC000063298051 (search)

Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 ZINC000063298074

ZINC000063298074 (search)

CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 ZINC000006718723

ZINC000006718723 (search)

Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1 ZINC000063298139

ZINC000063298139 (search)

Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1 ZINC000040835449

ZINC000040835449 (search)

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl ZINC000003925200

ZINC000003925200 (search)

CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c(N)ncnc43)CC2)CC1 ZINC000063298062

ZINC000063298062 (search)

O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F ZINC000063298106

ZINC000063298106 (search)

Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](C)O)c5)cnc(N)c34)cc2)c1 ZINC000063539828

ZINC000063539828 (search)

Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12 ZINC000006718468

ZINC000006718468 (search)

CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1 ZINC000063298056

ZINC000063298056 (search)

Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1 ZINC000063539318

ZINC000063539318 (search)

CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 ZINC000063539831

ZINC000063539831 (search)

N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1 ZINC000034605225

ZINC000034605225 (search)

C[C@@H](O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 ZINC000063539823

ZINC000063539823 (search)

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000055760827

ZINC000055760827 (search)

CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 ZINC000063539817

ZINC000063539817 (search)

COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1 ZINC000063298171

ZINC000063298171 (search)

Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1 ZINC000063298176

ZINC000063298176 (search)

Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1 ZINC000002047275

ZINC000002047275 (search)

O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1 ZINC000063298054

ZINC000063298054 (search)

CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1 ZINC000063298058

ZINC000063298058 (search)

COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1 ZINC000063298104

ZINC000063298104 (search)

Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12 ZINC000063539317

ZINC000063539317 (search)

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl ZINC000020148986

ZINC000020148986 (search)

Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1 ZINC000038347393

ZINC000038347393 (search)

O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1 ZINC000049793657

ZINC000049793657 (search)

OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 ZINC000063298130

ZINC000063298130 (search)

O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12 ZINC000063539376

ZINC000063539376 (search)

Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1 ZINC000063298077

ZINC000063298077 (search)

Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1 ZINC000063298103

ZINC000063298103 (search)

NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1 ZINC000063298145

ZINC000063298145 (search)

Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1 ZINC000063298149

ZINC000063298149 (search)

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1 ZINC000063298382

ZINC000063298382 (search)

CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12 ZINC000063539829

ZINC000063539829 (search)

NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1 ZINC000003834191

ZINC000003834191 (search)

O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2 ZINC000033593747

ZINC000033593747 (search)

O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001033210

ZINC000001033210 (search)

Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 ZINC000006718813

ZINC000006718813 (search)

O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12 ZINC000044717144

ZINC000044717144 (search)

Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn([C@@H](C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1 ZINC000063298183

ZINC000063298183 (search)

O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1 ZINC000063298238

ZINC000063298238 (search)

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 ZINC000043204048

ZINC000043204048 (search)

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F ZINC000039059267

ZINC000039059267 (search)

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000018825344

ZINC000018825344 (search)

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000023247639

ZINC000023247639 (search)

COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl ZINC000022448983

ZINC000022448983 (search)

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N[C@H](C)c1nccs1 ZINC000003819294

ZINC000003819294 (search)

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 ZINC000002047743

ZINC000002047743 (search)

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC ZINC000006745792

ZINC000006745792 (search)

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003814434

ZINC000003814434 (search)

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O ZINC000003781738

ZINC000003781738 (search)

CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 ZINC000021288966

ZINC000021288966 (search)

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 ZINC000053683345

ZINC000053683345 (search)

Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O ZINC000011617039

ZINC000011617039 (search)

O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 ZINC000043201999

ZINC000043201999 (search)

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000019862646

ZINC000019862646 (search)

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 ZINC000016697102

ZINC000016697102 (search)

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 ZINC000001493878

ZINC000001493878 (search)

COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 ZINC000208792972

ZINC000208792972 (search)

Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 ZINC001772613223

ZINC001772613223 (search)

COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(C#N)c4)c3F)cc12 ZINC001772593490

ZINC001772593490 (search)

Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 ZINC001772646733

ZINC001772646733 (search)

COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 ZINC000145083890

ZINC000145083890 (search)

CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 ZINC001772647286

ZINC001772647286 (search)

CC(C)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 ZINC001772613504

ZINC001772613504 (search)