SMILES for Multidrug resistance-associated protein 1

CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C |(16.57,-1.54,;15.03,-1.54,;14.26,-.21,;12.72,-.21,;11.95,-1.54,;12.72,-2.87,;14.26,-2.87,;10.41,-1.54,;9.64,-.21,;10.41,1.13,;8.1,-.21,;7.2,-1.45,;5.75,-.98,;4.41,-1.75,;3.08,-.98,;3.08,.56,;4.41,1.33,;4.41,2.87,;5.75,.56,;7.2,1.03,;7.68,2.5,)|

BDBM44707

Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc2OCOc2c1

BDBM44708

CCc1ccc(NC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCOCC2)cc1

BDBM44709

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCC1

BDBM44710

Brc1ccc(cc1)-c1cc(no1)C(=O)Nc1nnc(s1)N1CCCCCC1

BDBM44711

OC(=O)c1cccc(c1)-n1c(O)c2CC=C(Cl)Cc2c1O |t:15|

BDBM44712

CC(=O)N1CCN=C1SCc1ccc(C)cc1 |c:6|

BDBM44713

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1

BDBM44714

CCc1ccc2NC(=O)N(C(=C)c2c1)c1ccc(C)cc1

BDBM44715

COc1ccc(OCc2nc(C#N)c(o2)N2CCN(CC2)c2ccc(OC)cc2)cc1

BDBM39291

Cc1c(C)c2cc(ccc2n1C)C(=O)NCc1cccs1

BDBM44716

CC1CCc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccco3)cc2C1

BDBM44717

CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N

BDBM44718

COc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1

BDBM50306696

Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM44719

CCc1ccc(cc1)C1CC(c2ccccc2C)n2nc(N)nc2N1

BDBM44720

CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1

BDBM40532

Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)c1C

BDBM44721

CCOc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1

BDBM44722

CCC(=O)N1CCN=C1SCc1ccccc1 |c:7|

BDBM41366

CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2OCCOc2c1

BDBM37178

Cc1cc(C)cc(c1)-c1nc(no1)-c1ccncc1

BDBM44723

Cc1cccc(c1)C1CC(Nc2ncnn12)c1ccccc1

BDBM44724

CC1CCCCC1NC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1\C=C\N(C)C

BDBM44725

COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1

BDBM44726

Cc1ccc(OCc2nc(C#N)c(NCC=C)o2)cc1

BDBM44727

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

BDBM44728

CN(Cc1ccccc1)c1nnc(NC(=O)c2c(C)onc2-c2ccccc2)s1

BDBM44729

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccc(F)cc1

BDBM44730

CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1

BDBM44731

CCOc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(CC)cc1

BDBM41416

Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21

BDBM44732

COc1cccc(c1)C1CC(c2ccc(Cl)cc2Cl)n2nc(N)nc2N1

BDBM44733

Clc1ccc(Cc2nnc(o2)C(=O)NC2CCCCCC2)cc1

BDBM39561

Cc1noc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1Cl

BDBM44734

CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N

BDBM44735

Cc1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1

BDBM44736

O=C(CSc1nc2ccccc2o1)NCc1ccc2OCOc2c1

BDBM44737

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1cccs1

BDBM39562

O=C(CSc1nnc[nH]1)Nc1nnc(s1)-c1ccccc1

BDBM44738

O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1)NCc1ccccn1

BDBM44739

CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1

BDBM44740

CCOc1ccc(NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1

BDBM44741

COc1ccc(Cl)cc1N1C(N2CCCC2C1=O)c1ccc(F)c(F)c1

BDBM44742

CC(CCc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1sccc1-n1cccc1

BDBM44743

CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc23)cc1

BDBM44744

CC(=O)N1CCN=C1SCc1ccc(Br)cc1 |c:6|

BDBM44745

Cc1ccc(cc1)-c1nc(no1)C1CCCN(C1)S(=O)(=O)c1ccc(C)cc1

BDBM44746

Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)NCC1COc2ccccc2O1

BDBM44747

CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CCC#N)CC1

BDBM44748

CC(=O)N1CCN=C1SCc1ccc(Cl)cc1 |c:6|

BDBM44749

COc1ccc(Cc2nnc(NC(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC

BDBM30962

Clc1cccc(OCc2nc(C#N)c(o2)N2CCCC2)c1

BDBM44750

CCOc1ccc(cc1)-c1nc(C#N)c(o1)N1CCCCCC1

BDBM44751

COc1ccccc1CNC(=O)Cn1cc2CCCCc2n1

BDBM44752

O=C(NCCC1=CCCCC1)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12 |t:5|

BDBM44753

COc1ccc(cc1)N1Cc2cccc(C(=O)NC(C)CCc3ccco3)c2C1=O

BDBM44754

COc1ccc(cc1OC)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl

BDBM44755

CCC(=O)N1CCN=C1SCc1ccc(F)cc1 |c:7|

BDBM44756

Fc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1 |t:7|

BDBM44757

CCC(C)Nc1ncnc2n(Cc3ccc(Cl)cc3)ncc12

BDBM44758

CC1CC(C)CN(C1)c1ncnc2n(ncc12)-c1cccc(C)c1

BDBM44759

Oc1c(sc2ncnn12)C(N1CCC(Cc2ccccc2)CC1)c1ccco1

BDBM44760

Clc1cccc(c1)-n1ccnc1SCC(=O)Nc1ccc2OCCOc2c1

BDBM44761

Oc1c(sc2ncnn12)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1

BDBM44762

Oc1c(sc2ncnn12)C(N1CCN(CC1)c1cccc(Cl)c1)c1cccs1

BDBM44763

O=C(CCc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1

BDBM44764

FC(F)(F)c1cccc(c1)N1CC(CC1=O)c1nc2ccccc2[nH]1

BDBM44765

Cc1nnc(NC(=O)c2ccco2)s1

BDBM44766

COc1cc(cc(OC)c1OC)C(N1CCN(CC1)c1ccccc1F)c1sc2ncnn2c1O

BDBM44767

CC1CC(C)CN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1

BDBM44768

CC1CC(C)CN(C1)C(c1sc2ncnn2c1O)c1ccc(C)cc1

BDBM44769

CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CC)s1

BDBM44770

Oc1c(sc2ncnn12)C(N1CCN(CC1)c1ccccc1)c1cccs1

BDBM44771

Clc1ccc(CCNC(=O)c2cnc3SCCn3c2=O)cc1

BDBM44772

CC1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1

BDBM44773

COc1cccc(c1)-c1csc(NC(=O)C2CC2)n1

BDBM44774

CC(Sc1nncn1C)C(=O)Nc1nnc(C)s1

BDBM44775

COc1ccc(cc1)-n1c(SCC(=O)Nc2ccccc2)nc2CCSc2c1=O

BDBM44776

Oc1c(sc2ncnn12)C(N1CCc2ccccc2C1)c1ccccc1

BDBM44777

CC1CCN(CC1)C(c1sc2ncnn2c1O)c1ccc(C)cc1

BDBM44778

CCOC(=O)c1csc(NC(=O)c2ccccc2)n1

BDBM37498

CCOc1ccccc1Nc1ncnc2n(ncc12)-c1ccccc1

BDBM44779

Cn1c2nc(SCC(=O)Nc3ccccc3)n(Cc3ccccc3)c2c(=O)[nH]c1=O

BDBM37220

c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccncc1

BDBM44780

Clc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1

BDBM37221

CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F

BDBM44781

Oc1cc(N2CCN(CC2)c2nc3ccccc3s2)c(O)n1-c1ccc(F)cc1

BDBM44782

Cc1nc(=O)c(c(C)n1-c1ccc(cc1)C(O)=O)-c1ccccc1

BDBM44783

O=C(C(Sc1nnc[nH]1)c1ccccc1)c1ccccc1

BDBM44784

CCOC(=O)c1sc2nc3CCCCCn3c(=O)c2c1C

BDBM44785

Cc1cc2nc(oc2cc1C)-c1cccc(NC(=O)c2ccc(Br)o2)c1C

BDBM44786

Cc1ccc(o1)C1N2C(=O)CSC2=NC(C)=C1C(=O)Nc1ccccc1 |c:14,17|

BDBM44787

Clc1ccc(CSc2nnc[nH]2)cc1

BDBM44788

Clc1ccc(CSCC(=O)NCC2CCCO2)cc1

BDBM44789

COc1ccc(-c2n[nH]cc2-c2cnn(c2)-c2ccccc2)c(O)c1

BDBM44790

Fc1ccc(OCC(=O)Nc2ccc(cc2)-n2cnnn2)cc1

BDBM44791

COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1OC)c1ccccc1

BDBM44792

CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(C)on1

BDBM44793

Cc1ccc(cc1C)C(=O)CSc1nnc([nH]1)-c1ccco1

BDBM44794

COc1cc(cc(OC)c1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccc(C)cc1 |t:16|

BDBM44795

CCCCc1ccc(cc1)-c1nc(no1)-c1ccncc1

BDBM44796

[#6]-[#8]-[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc12

BDBM44797

N#CCn1nnc(n1)-c1ccc2OCOc2c1

BDBM44798

Brc1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccc1

BDBM37242

CCc1ccc(cc1)-c1nc(no1)-c1ccncc1

BDBM44799

O=c1oc(nc2sc3CCCCc3c12)-c1cc2ccccc2o1

BDBM44800

O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc[nH]1

BDBM35435

Oc1ccc2OC(=O)CC(c3ccccc3)c2c1

BDBM44801

CCSC(C)CC1CC(N=O)c2c(CC)noc2C1

BDBM38225

Cc1n[nH]c(=S)n(N=Cc2ccccn2)c1=O |w:7.6|

BDBM44802

CCOC(=O)CSc1nc(N)nc(C)c1Br

BDBM44803

Brc1ccc(OCC(=O)N2CCN(CC2)C2CCCC2)cc1

BDBM44804

Cc1c(oc2ccc3c(C)cc(=O)oc3c12)C(N=O)c1ccccc1

BDBM32135

Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1

BDBM44805

Brc1ccc(CSc2nnc[nH]2)cc1

BDBM44806

Brc1ccc(o1)C(=O)NCC1(CCOCC1)c1ccccc1

BDBM44807

CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1

BDBM44808

CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C

BDBM44809

CCOC(=O)Cc1csc(NC(=O)c2c(C)onc2-c2ccccc2)n1

BDBM44810

Oc1csc(NC(=O)c2ccccc2)n1

BDBM44811

C(Nc1ncnc2n(ncc12)-c1ccccc1)c1cccnc1

BDBM38774

CCOC(=O)C1CCCN(Cc2ccc(OC)cc2OC)C1

BDBM44812

CCCC(=O)c1ccc(N2CCOCC2)c(F)c1

BDBM44813

Clc1ccc(cc1)C1CC(=O)CC(=O)C1

BDBM44814

CCC(Sc1nc2ccccc2s1)C(=O)Nc1nnc(C)s1

BDBM44815

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4OCOc4c3)cc2)n1

BDBM50158753

Cc1nc(=O)c(c(C)n1-c1ccc(O)c(c1)C(O)=O)-c1ccccc1

BDBM44816

CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nnc[nH]1

BDBM44817

CCOC(=O)c1ccc(cc1)N1CN=C2SCC(=O)N2C1 |t:14|

BDBM44818

CNC[C@@H](c1ccc(c(c1)O)O)O

BDBM44819

Clc1ccc(cc1)-c1nnc(SC2CCc3ccccc3NC2=O)s1

BDBM44820

COc1ccccc1-c1nnc(SC2CCc3ccccc3NC2=O)s1

BDBM44821

Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCc2ccccc12)c1nnnn1C1CCCC1

BDBM44822

Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2-c2ccccc2)cc1

BDBM44823

COc1ccc(cc1)-n1c(C)nc(=O)c(c1C)-c1ccccc1

BDBM44824

CC(C(=O)N1c2ccccc2CCc2ccccc12)n1nnc(n1)-c1ccc(cc1)N(C)C

BDBM44825

Clc1ccc(CSCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1

BDBM44826

Cc1ccc(cc1)C(N1CCN(CC1)c1ncccn1)c1nnnn1CS(=O)(=O)c1ccc(C)cc1

BDBM44827

COc1ccc(cc1)-n1ncc2c1ncn(CC(=O)N1C(C)Cc3ccccc13)c2=O

BDBM44828

COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1

BDBM44829

O=C1c2ccccc2-c2nc3ccccc3n12

BDBM44830

c1ccc(cc1)OCCSc2[nH]c3ccccc3n2

BDBM44831

Clc1ccc(OCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)cc1

BDBM44832

Cc1nc(=O)c(c(C)n1-c1ccc(O)cc1)-c1ccccc1

BDBM44833

Oc1ccc(cc1)C(N(C(=O)Cn1nnc(n1)-c1cccs1)c1ccc2OCCOc2c1)C(=O)NCc1ccccc1

BDBM44834

Oc1cccc(c1)C1C(C#N)C(=N)SC(=N)C1C#N

BDBM44835

Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1

BDBM44836

Cc1ccc(o1)-c1noc(n1)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1

BDBM44837

CCOC(=O)C1C(c2cccnc2)n2ncnc2N=C1C |c:20|

BDBM44838

COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc23)cc1

BDBM44839

O=C1OC(Nc2ccccn2)c2ccccc12

BDBM44840

CC(C)CCC1CC(CSC(N)=N)OC1=O

BDBM44841

CCOC(=O)C(C1CCCCC1)C(=O)Nc1nc2ccccc2s1

BDBM44842

Clc1ccc(CSc2nc3CCCCc3cc2C#N)cc1

BDBM44843

O=C1N(Nc2ccccc2)C(=N\C1=C\c1cccs1)c1cccs1 |c:11|

BDBM44844

CCCCCOc1ccc(CSc2nnc[nH]2)cc1

BDBM44845

OC12C3CCCCC3(N3CCOCC3)[N+]([O-])=C1CCc1nonc21 |c:17|

BDBM44846

[H]C12CCC(C)(c3nc(SCc4ccc(Cl)cc4)nnc13)C2(C)C |TLB:7:6:21:3.2,THB:19:20:21:3.2|

BDBM44847

FC(F)(F)c1cc(nc2c(cnn12)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1cccs1

BDBM44848

Cc1cccc(NC(=O)Cc2sc(=O)n(c2O)-c2ccccc2)c1

BDBM44849

CCC(=O)c1ccc(N2CCOCC2)c(F)c1

BDBM44850

Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1

BDBM44851

Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(C)cc1

BDBM44852

CCCCCCCC1CC(CSc2nnc[nH]2)OC1=O

BDBM44853

CC(OC(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(=O)NC(C)(C)C

BDBM44854

Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(Cc3ccccc3Cl)nnc12

BDBM44855

COc1ccc(cc1)N1CCN(CC1)c1nc(Cl)nc(n1)N1CCOCC1

BDBM44856

CCOC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)cc1

BDBM44857

Cc1cccc(Cc2sc(Nc3ccccn3)nc2O)c1

BDBM44858

CC1CC(C)CN(C1)c1cc(C)nc2cc(nn12)-c1cccc(C)c1

BDBM44859

Cc1ccccc1NC(=O)Cc1sc(=O)n(c1O)-c1ccccc1

BDBM44860

Fc1cccc(c1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1

BDBM44861

Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1cccc(C)c1C

BDBM44862

Clc1ccccc1Cn1nnc2c(nc(nc12)C1CC1)N1CCN(CC1)C(=O)c1ccco1

BDBM44863

COc1ccc(cc1)-c1cc2nc(C)cc(N3CC(C)CC(C)C3)n2n1

BDBM44864

CCCCN(C(=O)Cc1cccs1)c1nnc(s1)-c1cccnc1

BDBM44865

O=C1N(C(=O)c2cccc3cccc1c23)c1ccncc1

BDBM44866

Cc1onc(c1C(=O)Nc1sc2CC(CCc2c1C#N)C(C)(C)C)-c1c(F)cccc1Cl |(15.05,2.84,;15.53,1.38,;16.99,.9,;16.99,-.64,;15.53,-1.11,;14.62,.13,;13.08,.13,;12.31,-1.2,;12.31,1.47,;10.77,1.47,;9.87,.23,;8.41,.7,;7.08,-.07,;5.75,.7,;5.75,2.24,;7.08,3.01,;8.41,2.24,;9.87,2.71,;10.35,4.17,;10.83,5.63,;4.41,-.07,;3.08,-.84,;3.64,1.26,;5.18,-1.41,;15.85,-2.62,;17.31,-3.1,;18.46,-2.07,;17.63,-4.6,;16.49,-5.63,;15.02,-5.16,;14.7,-3.65,;13.24,-3.17,)|

BDBM44867

Fc1ccccc1NN=C(C#N)C(=N)N1CCCCC1 |w:8.8|

BDBM44868

CCCCOC(=O)Nc1ccc(cc1)C(C)C

BDBM44869

COc1ccc(cc1OC)-c1c(Cl)nc(N[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1

BDBM44870

CC(C)CCOc1ncnc2c3cc4CSC(C)(C)Cc4nc3sc12

BDBM44871

Cc1ccsc1CNn1cnnc1SCc1ccc(Cl)cc1

BDBM44872

COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Br)cc1

BDBM44873

Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(F)cc1

BDBM40167

Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)c(Cl)c(=O)n2[nH]1 |(8.7,-1.22,;9.94,-2.13,;9.94,-3.67,;11.41,-4.14,;12.31,-2.9,;13.85,-2.9,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;3.08,2.6,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|

BDBM44874

FC(F)(F)c1nnc(NC(=O)C2COc3ccccc3O2)s1

BDBM44875

O=CC(=NNc1ccccc1)C(=O)c1ccncc1 |w:3.3|

BDBM44876

COc1ccccc1NC(=O)CSC(N)=O

BDBM44877

Cc1ccc(NN=C(C#N)C(N)=S)c(C)c1 |w:6.5|

BDBM44878

FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1cccc(Cl)c1 |t:6|

BDBM44879

CC(C)(C)c1ccc(OCC(O)CSc2nnc[nH]2)cc1

BDBM44880

CCOc1ccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)cc1

BDBM44881

COc1ccc([N-]C(=[NH+]Nc2ccc(cc2)[N+]([O-])=O)P(=O)(N2CCOCC2)N2CCOCC2)cc1 |w:8.8|

BDBM44882

CC1CCC(CC1)NC(=O)Cn1c2CCCc2c(cc1=O)-c1ccccc1Cl |(3.08,-7.32,;4.41,-6.55,;4.41,-5.01,;5.75,-4.24,;7.08,-5.01,;7.08,-6.55,;5.75,-7.32,;8.41,-4.24,;8.41,-2.7,;7.08,-1.93,;9.75,-1.93,;9.75,-.39,;11.08,.39,;12.54,-.08,;13.44,1.16,;12.54,2.39,;11.08,1.93,;9.75,2.7,;8.41,1.93,;8.41,.39,;7.08,-.39,;9.75,4.24,;8.41,5.01,;8.41,6.55,;9.75,7.32,;11.08,6.55,;11.08,5.01,;12.42,4.24,)|

BDBM44883

CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O

BDBM44884

Cc1cc(C)c(NC(=O)c2sc3nc4CC(C)(C)CC(=O)c4cc3c2N)c(C)c1

BDBM44885

Cc1ccc(CC2S\C(N(C2=O)c2ccccc2)=C(\C#N)C(=O)N2CCOCC2)cc1

BDBM44886

Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(Cl)c1

BDBM44887

COc1cccc(C=Nn2c(O)csc2=S)c1O |w:8.8|

BDBM44888

CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1CC

BDBM44889

Cn1nc(c2cc(NC(=O)OCc3ccc(cc3)C(C)(C)C)sc12)C(F)(F)F

BDBM44890

CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1

BDBM44891

Nc1ccc(CC2SC(=O)NC2=O)cc1

BDBM44892

Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(SCC2CCCO2)c(c1)[N+]([O-])=O

BDBM44893

Brc1ccc(cc1)C(=O)CC=NNC(=O)c1ccccc1 |w:11.12|

BDBM44894

Cc1cccc(N2CCN(CC2)C(=O)Cc2ccc(Br)cc2)c1C

BDBM44895

Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21

BDBM44896

CCc1c(C)sc(NC(=O)c2cc(CC(C)C)on2)c1C#N

BDBM44897

CC(C)c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

BDBM44898

COc1cccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1

BDBM44899

Cn1c(cc2oc3ccccc3c12)C(=O)NCc1ccccc1

BDBM44900

CCCNC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C

BDBM44901

CC(SC1=NCCS1)C(=O)Nc1nnc(s1)-c1ccc(Br)cc1 |t:3|

BDBM44902

CCOC(=O)c1c(NC(=O)CSc2nnc[nH]2)scc1-c1ccc(C)o1

BDBM44903

Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1

BDBM44904

COC(=O)C(C=Nc1ccc(O)cc1)[N+]([O-])=O |w:6.6|

BDBM44905

Cc1oc(cc1COc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O

BDBM44906

Cc1nnc(NC(=O)COc2ccccc2)s1

BDBM44907

CCCCc1cc(=O)oc2cc(OCC(Cl)=C)ccc12

BDBM33084

CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|

BDBM44908

N#Cc1nc(COc2ccccc2)oc1N1CCCCCC1

BDBM33470

O=C1N=C(S\C1=C/c1cccs1)c1ccccc1 |c:2|

BDBM44909

CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1

BDBM44910

Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM40680

CN(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3C(=NCC2=O)c2ccccc2)cc1 |c:20|

BDBM44911

CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N1CCCCC1

BDBM44912

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(C)c1ccc2OCCOc2c1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM44913

CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1

BDBM44914

Oc1ccc(NC(=O)C2CCCO2)cc1

BDBM44915

CCCCNc1oc(nc1S(=O)(=O)c1ccccc1)-c1ccc(OC)cc1

BDBM44916

Cn1cc(cc1-c1nnc(COc2ccc(F)cc2)o1)C(=O)c1ccc(Cl)cc1Cl

BDBM44917

Clc1cccc(Cl)c1CN1CCSc2sccc2C1=O

BDBM44918

COc1ccc(cc1)-n1c(O)cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1O

BDBM44919

CCc1nnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)s1

BDBM44920

Oc1cc(N2CCC(CC2)c2nc3ccccc3o2)c(O)n1-c1cc(Cl)cc(Cl)c1

BDBM44921

Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccc(Br)cc1)-c1ccccc1Cl

BDBM44922

Cc1nnc(NC(=O)c2c(F)cccc2F)s1

BDBM44923

CCCC1SC(=NN=Cc2ccc(OC)cc2)N(Cc2ccccc2)C1=O |w:6.6|

BDBM44924

CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N

BDBM44925

Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1

BDBM44926

Cc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1

BDBM44927

CCCCC1SC(=NN=Cc2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O |w:7.7|

BDBM44473

COc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccc(C)cc2)c2cccnc2)cc1 |t:7,25|

BDBM44928

Cc1nc(OCc2ccccc2)c2sc3nc4CC(C)(C)OCc4cc3c2n1

BDBM44929

CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2ccccc2[nH]1

BDBM44930

CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2[nH]1

BDBM44931

CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(=O)[nH]1

BDBM44932

CC(=O)C(C#N)=C1NC(=O)C(Cc2ccc(C)c(C)c2)S1 |w:6.21|

BDBM44933

C1CN(CCN1C(c1ccccc1)c1ccccc1)c1nc2ccccc2n2cnnc12

BDBM44934

Clc1cccc(c1)N1CCN(Cc2cc(=O)oc3cc4CCCCc4cc23)CC1

BDBM44935

[O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCCCC1

BDBM44936

FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1 |t:6|

BDBM44937

CCc1nnc(NC(=O)C2COc3ccccc3O2)s1

BDBM44938

Cc1cc(C)n2nc(nc2n1)C(=O)Nc1nnc(s1)C1CC1

BDBM44939

CN1\C(=C/C(=O)c2oc3ccccc3c2N)C(C)(C)c2ccccc12

BDBM44940

Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C

BDBM44941

Cc1ccc(OCc2nnc([nH]2)-c2ccc(Cl)cc2)cc1

BDBM44942

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSc1nnc[nH]1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM44943

O=C1CSC2=NCN(CN12)c1ccccc1 |t:4|

BDBM44944

O=C(CSc1nnc[nH]1)NCCC(c1ccccc1)c1ccccc1

BDBM33090

CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|

BDBM34702

CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|

BDBM44945

O=C(Cn1c(=O)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c2c1=O)N1CCc2ccccc12

BDBM44946

NC(Cc1cccs1)=NOC(=O)COc1ccc(Br)cc1 |w:8.9|

BDBM44947

[#6]-[#6](=O)-[#7]-c1ccc2nc(-[#6])c(-[#6]\[#6]=[#6](\Cl)Cl)c(-[#8])c2c1

BDBM44948

CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)c2c(cc3ccccn23)-c2ccccc2)ccc1C

BDBM44949

O=C(CSc1nnc[nH]1)N1N=C2C(CCCC2=Cc2ccco2)C1c1ccco1 |w:17.19,c:11|

BDBM44950

Cc1ccc(o1)C(=O)Nc1nnc(C)s1

BDBM44951

COc1ccc(NC(=O)COC(=O)c2c3CCCCc3nc3ccccc23)cc1Cl

BDBM44952

CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)Nc1nnc(CC)s1

BDBM44953

COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccnc1OC

BDBM44954

COc1ccc(cc1S(=O)(=O)N1CCCc2ccccc12)C(=O)NCc1ccccc1

BDBM44955

CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1

BDBM44956

CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccc(cc1)C(F)(F)F |c:6,t:10|

BDBM44957

COc1ccc2cc(ccc2c1)-c1cc(C(O)=O)c2ccccc2n1

BDBM44958

Oc1ccccc1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1CC=C |w:8.9|

BDBM44959

COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(c2C)-c2cccc(Cl)c2Cl)c(OC)c1 |w:12.11,(8.41,-10.06,;7.08,-9.29,;7.08,-7.75,;8.41,-6.98,;8.41,-5.44,;7.08,-4.67,;7.08,-3.13,;8.41,-2.36,;9.75,-3.13,;8.41,-.82,;7.08,-.05,;9.75,-.05,;9.75,1.49,;11.08,2.26,;11.08,3.8,;9.84,4.7,;10.31,6.17,;9.41,7.41,;11.85,6.17,;12.33,4.7,;13.79,4.23,;12.76,7.41,;12.13,8.82,;13.04,10.06,;14.57,9.9,;15.19,8.5,;16.73,8.34,;14.29,7.25,;14.92,5.84,;5.75,-5.44,;4.41,-4.67,;3.08,-5.44,;5.75,-6.98,)|

BDBM44960

CN(C)C(=O)c1sc(NC(=S)NC(=O)c2ccccc2)nc1C

BDBM44961

Fc1cc(F)c(F)c(Cn2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)n2)c1F

BDBM44962

COc1cccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1OC |c:17,20|

BDBM44963

Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1

BDBM44964

CCOc1ccccc1NC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1

BDBM44965

CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12

BDBM44966

COc1ccc(\C=C\C(=O)NCc2cnn(C)c2C)cc1COc1ccc(Br)cc1

BDBM44967

Cc1cccc(Cc2cnc(NC(=O)CN3C(=S)S\C(=C/c4ccccc4)C3=O)s2)c1

BDBM44968

O=C(CN1C(=S)S\C(=C/c2ccccc2)C1=O)Nc1ncc(Cc2ccccc2)s1

BDBM44969

COc1ccc(cc1OC)C1C(CCC(=O)N1c1ccc(C)cc1)C(=O)OCC(=O)NC(C)(C)C

BDBM44970

Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c(C)o1

BDBM44971

CN(C)C(=O)c1sc(NC(=S)NC(=O)c2cccs2)nc1C

BDBM44972

CCn1c(CNC(=O)COc2ccc(cc2)C(C)C)nnc1SCC(=O)Nc1ccccc1C(C)C

BDBM44973

CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21

BDBM44974

CCc1noc(C)c1C(=O)Nc1nc(c(C)s1)-c1cc(C)ccc1C

BDBM44975

CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(C)cc3)c(=O)c21

BDBM42426

Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)cc2)c1

BDBM44976

Cc1cc(C)c(c(Sc2ccc(Cl)cc2)n1)S(C)(=O)=O

BDBM41840

Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2c(Cl)cccc2Cl)c1=O

BDBM44977

Clc1ccc(CSc2nnc(o2)-c2cccn(Cc3ccccc3)c2=O)cc1

BDBM44978

O=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12

BDBM44979

COC(=O)c1cnn(c1N)-c1cc(Oc2ccccc2)ncn1

BDBM44980

CCn1c(C)c(C)c2cc(ccc12)C(=O)Nc1cccc(Cl)c1

BDBM44981

Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)n1

BDBM44982

Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1

BDBM44983

CCCCCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1cccnc1 |w:18.18|

BDBM44984

CNc1oc(nc1P(=O)(c1ccccc1)c1ccccc1)-c1ccc(C)cc1

BDBM41610

Fc1ccc(cc1)-n1nnnc1-c1cnc(nc1C(F)(F)F)-c1cccs1

BDBM44985

C\N=C1\S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(3.84,6.9,;3.84,5.36,;5.17,4.59,;5.33,3.06,;6.84,2.74,;7.47,1.33,;6.56,.09,;5.02,.09,;4.54,-1.38,;3.08,-1.85,;5.79,-2.28,;7.04,-1.38,;8.5,-1.85,;5.79,-3.82,;7.12,-4.59,;7.12,-6.13,;5.79,-6.9,;4.46,-6.13,;4.46,-4.59,;3.12,-3.82,;7.61,4.07,;9.14,4.24,;6.58,5.22,;6.9,6.73,)|

BDBM44986

Brc1cncc(c1)C(=O)NC(=S)Nc1nc(cs1)-c1ccccc1

BDBM44987

Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1

BDBM44988

Clc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NC2CCCC2)c2c[nH]c3ccccc23)c2ccccc2)n1

BDBM44989

OCCN=C1CCCc2c1[nH]c1ccc(Br)cc21 |w:3.2|

BDBM44990

Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6|

BDBM44991

COc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)o2)cc1

BDBM44992

COc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccccc1)C(=O)Cn1cnc2ccccc12

BDBM44993

CC(C)Oc1ccc(CSC(N)=N)cc1

BDBM44994

Cc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2ccccc2F)n1

BDBM44995

Cc1c(N2C(=S)S\C(=C/c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C

BDBM44996

O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1

BDBM44997

Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|

BDBM44998

Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C

BDBM44999

CC(O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F

BDBM45000

CCOC(=O)c1nnc(nc1Oc1ccccc1Cl)-c1ccccc1

BDBM45001

O=C(Nc1nc(=O)n(s1)C(=O)C1CC1)c1ccccc1

BDBM45002

Cc1cc([nH]n1)C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 |w:9.9|

BDBM45003

FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1

BDBM45004

CC(C)CC(=O)n1sc(NC(=O)c2ccccc2)nc1=O

BDBM45005

Fc1ccccc1NN=C(C#N)C(=N)N1CCOCC1 |w:8.8|

BDBM45006

COc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1O |w:8.8|

BDBM45007

COc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1O |w:8.8|

BDBM45008

Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1

BDBM45009

COc1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1

BDBM44021

Cc1c(N2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C

BDBM45010

Cc1ccc(cc1)S(=O)(=O)NN=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:11.11|

BDBM45011

[O-][N+](=O)c1cccc(c1)-c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1

BDBM45012

Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccccc3)C2=O)n1 |w:13.13|

BDBM45013

COc1cccc(c1)-c1csc(NC(=O)Oc2ccccc2)n1

BDBM45014

COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)C(=O)c2ccccc2[N+]([O-])=O)cc1

BDBM45015

Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1

BDBM45016

NC(=N)SCc1cccc2ccccc12

BDBM45017

CC(C)(C)NC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl

BDBM45018

CC(=O)NN1C(=S)S\C(=C\c2ccc(C)cc2)C1=O

BDBM39795

Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)n1 |w:13.13|

BDBM45019

Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCCCC4)c(c3)[N+]([O-])=O)nc12

BDBM45020

CCc1ccc(cc1)C(C)N=Nc1cc(Cl)nc(C)n1 |w:10.10|

BDBM45021

CCOC(=O)c1c(NC(=O)C2CCCCC2)scc1-c1cccc(c1)[N+]([O-])=O

BDBM45022

Brc1ccc(OCC(=O)c2ccc3CCCCc3c2)cc1

BDBM45023

CCn1c(C)cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C

BDBM45024

Cc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1c(C)cccc1C |(3.08,-3.27,;4.54,-2.79,;5.02,-1.33,;6.56,-1.33,;7.47,-.08,;6.84,1.32,;5.33,1.64,;4.19,.61,;5.17,3.17,;6.58,3.8,;7.61,2.66,;9.14,2.82,;6.9,5.31,;8.36,5.78,;8.68,7.29,;7.54,8.32,;6.07,7.84,;5.75,6.34,;7.04,-2.79,;8.5,-3.27,;5.79,-3.7,;5.79,-5.24,;4.46,-6.01,;3.12,-5.24,;4.46,-7.55,;5.79,-8.32,;7.12,-7.55,;7.12,-6.01,;8.46,-5.24,)|

BDBM45025

Cc1ccc(cc1)N1C(=O)C2C(C1=O)(c1ccccc1)C2(c1ccccc1)c1ccccc1

BDBM45026

CCCOC(=S)NC(=O)c1sc2ccccc2c1Cl

BDBM45027

CCOC(=S)NC(=O)c1sc2ccccc2c1Cl

BDBM45028

CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1nnc(C)s1

BDBM45029

CC(C)c1ccc(CNc2cc(ccc2[N+]([O-])=O)N2CCCC2)cc1

BDBM45030

Cc1cc(C=C2SC(S)=NC2=O)c(C)n1C |w:4.3,c:8|

BDBM45031

CCOc1ccc(OCC)c(c1)-c1[n+]([O-])c2ccccc2n(OCc2ccc(cc2)C(C)(C)C)c1=O |(3.08,3.47,;4.41,4.24,;5.75,3.47,;7.08,4.24,;7.08,5.78,;8.41,6.55,;9.75,5.78,;11.08,6.55,;11.08,8.09,;12.42,8.86,;9.75,4.24,;8.41,3.47,;11.08,3.47,;12.42,4.24,;12.42,5.78,;13.75,3.47,;15.13,4.29,;16.52,3.5,;16.52,1.89,;15.13,1.1,;13.75,1.93,;12.42,1.16,;12.42,-.39,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;13.75,-7.32,;13.75,-8.86,;15.29,-7.32,;12.21,-7.32,;11.08,1.93,;9.75,1.16,)|

BDBM45032

CCC1(C)Cc2c(CO1)sc1nnn(Cc3ccccc3Cl)c(=O)c21

BDBM45033

CCOc1cccc(CNc2ccc(cc2)C(O)=O)c1OCC=C

BDBM45034

CCOc1ccc(OCC)c(c1)-c1[n+]([O-])c2ccccc2n(OCc2ccc(Cl)cc2)c1=O |(3.08,2.7,;4.41,3.47,;5.75,2.7,;7.08,3.47,;7.08,5.01,;8.41,5.78,;9.75,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;9.75,3.47,;8.41,2.7,;11.08,2.7,;12.42,3.47,;12.42,5.01,;13.75,2.7,;15.13,3.52,;16.52,2.73,;16.52,1.12,;15.13,.33,;13.75,1.16,;12.42,.39,;12.42,-1.16,;13.75,-1.93,;13.75,-3.47,;12.42,-4.24,;12.42,-5.78,;13.75,-6.55,;13.75,-8.09,;15.08,-5.78,;15.08,-4.24,;11.08,1.16,;9.75,.39,)|

BDBM45035

COc1ccc(cc1)-c1cc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc2n1

BDBM45036

COc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1

BDBM45037

Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O

BDBM45038

COc1ccc(CN=Nc2cc(OC)ncn2)cc1 |w:8.8|

BDBM45039

Cc1cccc(NC(=O)C(\NC(=O)c2ccc(Cl)cc2)=C/c2ccc(o2)[N+]([O-])=O)c1

BDBM45040

C\C(\C=C1/SC(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O)=C/c1ccccc1

BDBM45041

O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|

BDBM45042

Cc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc(C)c2c1

BDBM45043

Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1

BDBM45044

Cc1cc(NC(=O)CN2C(=O)S\C(=C/c3ccccc3)C2=O)no1

BDBM45045

CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1

BDBM45046

CC(NC(=O)c1ccc(Br)cc1)c1ccc2CCCCc2c1

BDBM45047

OC(COc1ccccc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM45048

CC(=C)C(=O)Nc1cc(=O)n([nH]1)-c1ccccc1

BDBM45049

NS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2nc(cs2)-c2ccccc2)c1=O)-c1ccccc1 |w:11.12|

BDBM45050

COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccccc2C)cc1 |t:8|

BDBM45051

CC1CCC\C(C1)=C(/C#N)c1nc(cs1)-c1cc2ccccc2oc1=O

BDBM45052

CCOC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2)scc1-c1ccc(F)cc1

BDBM45053

CCSc1nnc(-c2ccc(C)cc2)c2ccccc12

BDBM45054

CCc1ccc(cc1)-c1csc(NC(=O)Oc2ccccc2)n1

BDBM45055

[O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1

BDBM45056

CCc1nccn1C(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F

BDBM45057

COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccc(F)cc2)cc1 |t:8|

BDBM50143239

CCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1

BDBM45058

Cc1ccc(cc1C)N1C(=O)NC(=O)C(=Cc2ccsc2)C1=O |w:15.16|

BDBM45059

[O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ncc(Cc2ccc(cc2)C(F)(F)F)s1

BDBM33731

Fc1ccc(NC(CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)cc1

BDBM45060

C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1

BDBM45061

O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N(c1ccccc1)c1ccccc1

BDBM45062

Cc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1

BDBM45063

CCCCOc1ccc(\C=C\C(=O)Nc2ccc(cc2C)[N+]([O-])=O)cc1

BDBM45064

Cc1ccc(CC2S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)cc1

BDBM45065

CC(C)(CNC(=O)\C=C\c1ccc(F)cc1)CNC(=O)\C=C\c1ccc(F)cc1

BDBM45066

Clc1cccc(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1

BDBM45067

Cc1ccc(cc1C)C(=O)COc1ccccc1-c1ccccc1

BDBM45068

Clc1ccc(OCc2nnc(NC(=O)CSc3ccccc3)s2)cc1

BDBM45069

NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1

BDBM45070

COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|

BDBM45071

NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1 |w:7.8,t:1|

BDBM45072

N=C(N1CCOCC1)C(=NNc1ccccc1)C#N |w:9.10|

BDBM45073

Cc1ccc2c(C)nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc2c1 |w:9.8|

BDBM45074

O=C(CCN1C(=S)S\C(=C/c2ccccc2)C1=O)NNC(=O)c1cccnc1

BDBM45075

[O-][N+](=O)c1ccccc1-c1ccc(\C=C2/Sc3[n-]c(=O)c(n[n+]3C2=O)-c2ccccc2)o1

BDBM45076

Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccccc1O

BDBM45077

Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O

BDBM45078

COc1cccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)c1O |w:8.8|

BDBM45079

CC1(C)Cc2c(CO1)sc1nnn(Cc3ccc(Cl)cc3)c(=O)c21

BDBM45080

[O-][N+](=O)c1cccc(CC2S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1

BDBM45081

Fc1ccc(cc1)N1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O

BDBM45082

Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(cc(C)c1=O)[N+]([O-])=O |w:9.9|

BDBM45083

Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1

BDBM35480

Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C2CC2)c(=O)n(Cc2ccccc2)c1=O

BDBM45084

Fc1ccccc1C(=O)NC(=S)NC(=O)c1ccccc1F

BDBM45085

Clc1ccc(Cl)c(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1

BDBM45086

Cc1ccc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc(C)c2c1 |w:7.6|

BDBM45087

Cc1cccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)NCC=C)c1C

BDBM45088

ClC1(Cl)CC1c1ccc(NC(=O)c2ccccc2Br)cc1

BDBM45089

Clc1ccccc1NC(=S)NCc1ccccn1

BDBM45090

CCN(CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCc1ccco1

BDBM45091

CCCCCCCOc1ccc(cc1)-c1ccc(cn1)C#N

BDBM45092

Oc1nc(Nc2ccccc2)sc1Cc1cccc(Cl)c1Cl

BDBM45093

CCn1c(COc2ccc(Cl)cc2)nnc1SC1CCc2ccccc2C1=O

BDBM45094

Clc1ccccc1C1OCC2(CO1)SC(=O)NC2=O

BDBM45095

Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCc3ccco3)c(=O)[nH]c12

BDBM45096

Oc1ccccc1C=NNC(=O)CC(=O)NCc1cccnc1 |w:8.9|

BDBM45097

CC(N=Nc1nc(nc(C)c1CC=C)-c1ccccc1)c1ccccc1 |w:3.3|

BDBM45098

COc1cc(ccc1NC(=O)c1ccncc1)S(=O)(=O)Nc1cccc(C)c1

BDBM45099

Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc4OCCOc4c3)c(=O)[nH]c12

BDBM45100

ClCCCC(=O)Nc1cc(=O)n([nH]1)-c1ccccc1

BDBM45101

Cn1cc(Br)c(n1)C(=O)NNC(=O)c1ccc(Br)cc1

BDBM45102

Brc1ccc(OCC(=O)NNC(=S)NCC=C)cc1

BDBM45103

Clc1ccc(OCc2nnnn2-c2ccccc2)cc1

BDBM45104

CC(N=Nc1nc(nc(C)c1CC=C)-c1ccccc1)c1ccc(N)cc1 |w:3.3|

BDBM45105

Cc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)o2)cc1

BDBM45106

Cn1cc(Br)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1

BDBM45107

Cc1ccc(OCc2nnc(SC3CCc4ccccc4C3=O)n2C)cc1

BDBM45108

COC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC2)C(=S)Nc2cccc(OC)c2)cc1

BDBM45109

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2C1\C=C\c1ccccc1 |c:5,t:8|

BDBM45110

Cc1cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C

BDBM45111

CC(=NNC(=S)Nc1ccccc1)c1ccc2OCOc2c1 |w:2.2|

BDBM45112

COc1ccc(cc1)-n1c(O)c(CC(=O)Nc2ccc(F)cc2)n(CCc2cccs2)c1=O

BDBM45113

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccsc2c1=O

BDBM45114

Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccsc2c1=O

BDBM45115

Cc1cc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:4|

BDBM45116

Clc1ccccc1CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O

BDBM45117

CCOc1ccc2N(C)C(=O)C(N=O)c2c1

BDBM45118

COC(=O)NN=Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 |w:5.4|

BDBM45119

NC(=N)SCc1nc2ccccn2c1Br

BDBM45120

[#8]-c1csc(=S)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1

BDBM45121

Cc1nc(N=C(N)NC(=O)N2c3ccccc3Sc3ccccc23)nc2ccccc12 |w:4.3|

BDBM45122

Cc1ccc(NN=C(C#N)C(=N)N2CCOCC2)cc1 |w:6.5|

BDBM45123

Cc1ccc(cc1C)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1

BDBM45124

Cc1cc(C)n(CCC(=O)NN=Cc2ccccc2O)n1 |w:11.10|

BDBM45125

COC(=O)NN=Cc1ccc(o1)-c1ccc(C)c(Cl)c1 |w:5.4|

BDBM45126

CCOP(=O)(OCC)C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N(CC)CC

BDBM45127

COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O |w:8.8|

BDBM45128

Cc1cc(C)nc(N=NCc2cccc3ccccc23)n1 |w:7.6|

BDBM45129

COC(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1 |w:5.4|

BDBM45130

Cc1nc(nc(N=NCc2ccccc2)c1CC=C)-c1ccccc1 |w:6.5|

BDBM45131

C[C+]([N-]NC(=O)CSc1ccccn1)c1ccc(cc1)[N+]([O-])=O

BDBM45132

Cc1cc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc(C)c2cc1C |w:6.5|

BDBM45133

Clc1ccc(cc1)-n1c(SCC(=O)NN=Cc2ccco2)nnc1-c1ccccc1 |w:14.14|

BDBM45134

COc1ccc(CN=Nc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1OC |w:8.8|

BDBM45135

COc1ccc(Cc2nnc(N=NCc3ccc(O)cc3O)[nH]c2=O)cc1OC |w:11.10|

BDBM45136

COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12

BDBM45137

[O-][N+](=O)c1ccc(N=NCc2ccccc2)c(F)c1 |w:7.6|

BDBM45138

Cc1cc(N=NCc2ccccc2Cl)nc(NCc2ccccc2)n1 |w:4.3|

BDBM45139

C\C(C=NNC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)=C/c1ccccc1 |w:3.3|

BDBM34783

Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1 |w:13.13|

BDBM45140

COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1 |w:8.8|

BDBM45141

CCCCCCN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:11.11|

BDBM45142

CCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1

BDBM45143

CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(C)cc1)c1ccc(cc1)C(=O)OC |c:14|

BDBM45144

CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(=O)OC |c:14|

BDBM45145

COc1cccc(\C=[NH+]\NC(=O)C(C)n2nc(C)c(c2C)[N+]([O-])=O)c1[O-]

BDBM45146

Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c12

BDBM45147

Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl

BDBM45148

COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(F)cc3)c(=S)n2NC(=O)c2ccccc2)cc1

BDBM45149

Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl

BDBM45150

Clc1ccccc1-c1ccc(o1)C(=S)N1CCCCC1

BDBM45151

Cc1ccc(Nc2nnc(-c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3ccccc23)cc1

BDBM45152

C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)=C/c1ccccc1

BDBM45153

OC(=O)\C=C/C(=O)NC1CCCCC1

BDBM45154

COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)n2NC(=O)c2cccc(F)c2)cc1

BDBM45155

Cc1nc2c(ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc23)s1

BDBM45156

Oc1ccc(Br)cc1C=NNC(=O)CCc1ccccc1 |w:9.10|

BDBM45157

CC(=O)c1ccc(NC(=O)CN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:16.16,19.19|

BDBM45158

O=C(Nc1nc(cs1)-c1ccc(Oc2ccccc2)cc1)C1=COCCO1 |t:24|

BDBM45159

O=C(NCCc1ccccc1)C(=O)c1c(cc2ccccn12)-c1ccccc1

BDBM45160

CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:18.18,21.21|

BDBM45161

CCn1c(SCc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O

BDBM45162

Fc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1

BDBM45163

Clc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1

BDBM45164

Clc1ccc(CNC(=O)C(=O)NCC(N2CCOCC2)c2ccco2)cc1

BDBM45165

Cc1ccccc1NC(=O)CSC1=NCCN1 |t:13|

BDBM45166

COc1ccc(cc1)C1CC(=NN1C(=O)c1cccs1)c1ccc(OC)cc1 |c:11|

BDBM45167

CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1)-c1ccccc1

BDBM45168

CCOc1ccc(NC(=O)Nc2cc(sc2C(=O)OC)-c2ccccc2)cc1

BDBM45169

Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC1=CCCCC1 |t:19|

BDBM45170

Fc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1

BDBM45171

Cc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1

BDBM45172

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CON=C1C(=O)N(CCC)c2ccccc12 |w:18.20,TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|

BDBM45173

COc1ccc(cc1NC(=O)COC(=O)\C=C\c1ccco1)[N+]([O-])=O

BDBM45174

CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(N)s1)-c1ccccc1

BDBM45175

CCCN1C(=O)C(=NOCC(=O)Nc2ccc(cc2)C(C)C)c2ccccc12 |w:7.7|

BDBM45176

Clc1ccc(OCc2nc3ccccc3n2CC(=O)NCCC#N)cc1

BDBM45177

COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2)cc1OC

BDBM45178

COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1

BDBM45179

CCOC(=O)C(=NNc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 |w:6.6|

BDBM45180

COc1ccc(cc1S(=O)(=O)N(C)Cc1ccccc1)C(=O)NCc1ccc2OCOc2c1

BDBM45181

CCCn1c(C)cc(\C=C(/C#N)C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1C

BDBM45182

Cc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1F

BDBM45183

COc1cc(\C=C(/C#N)c2ccccn2)ccc1OCc1ccccc1Cl

BDBM45184

FC(F)(F)C(=O)NC(CC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccccc1

BDBM45185

COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(CC1)c1ccc(F)cc1 |w:7.7|

BDBM45186

OC(C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1

BDBM45187

Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)cc1

BDBM45188

CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1OCC(O)=O

BDBM45189

Cc1ccc(NC(=O)CCC(=O)NN=Cc2cccs2)cc1C |w:13.12|

BDBM45190

COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1

BDBM45191

Cc1cc(C)n(CCc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1

BDBM45192

[O-][N+](=O)C1=CC(\C=N\n2cnc3ccccc23)C(=O)C=C1 |c:21,t:3|

BDBM45193

COc1cccc(\C=[NH+]\NC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)c1[O-]

BDBM45194

O=C(CC1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1

BDBM45195

Oc1n(-c2ccc(cc2)C#N)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1

BDBM45196

Cc1c(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)c(=O)n(-c2ccccc2)n1C |c:8,16|

BDBM45197

CC(=NNC(=O)CCc1c[nH]c2ccccc12)c1cccc(c1)[N+]([O-])=O |w:2.2|

BDBM45198

O=C(CCN1C(=S)S\C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1

BDBM45199

Oc1ccc(cc1)N1C(=S)S\C(=C\c2ccco2)C1=O

BDBM45200

OC(=O)CCN1C(=O)CC(N2C(=S)S\C(=C/c3ccc(Cl)cc3)C2=O)C1=O

BDBM45201

COc1cccc(C=NNC(=O)CNC(=O)c2ccc3OCCOc3c2)c1O |w:8.8|

BDBM45202

Clc1ccc(CN2C(=O)SC(CC(=O)Nc3nccs3)C2=O)cc1

BDBM45203

CCC(=NNC(=O)C(N)=O)c1ccccc1O |w:3.3|

BDBM45204

Brc1ccc(NCc2cc(=O)n3ccsc3n2)cc1

BDBM45205

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(NC(=S)NC)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM45206

Brc1ccc(OCc2nnc3CCCn23)cc1

BDBM45207

NC(=NN=Cc1ccc2OCOc2c1)c1nonc1N |w:3.2,1.0|

BDBM45208

CCC(Sc1nc2ccccc2o1)C(=O)Nc1nnc(C)s1

BDBM45209

O=C(Cc1ccccc1)Nc1ccccc1Oc1ccccc1

BDBM45210

CCc1nn2c(N)c(\C=C3/C=Nc4ccccc34)c(=O)nc2s1 |c:10|

BDBM45211

CCCC(=O)NC(=S)Nc1ccc(cc1)C(C)=O

BDBM45212

COc1ccc(CN2C(=O)C(=CNc3ccc(OC)cc3)c3ccccc3C2=O)cc1 |w:11.11|

BDBM45213

COc1ccc(cc1)N1C(NC(=O)C(C#N)C1=S)c1ccco1

BDBM45214

Cc1cccc(c1)-n1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12

BDBM45215

[O-][N+](=O)c1ccc(\C=C\C(=O)N2CCN(CC2)c2ccccc2F)cc1

BDBM50325537

[H]/N=C(N)/SCc1ccccc1Cl

BDBM45216

COc1cc(CNc2ccc(NC(=O)CC(C)C)cc2)ccc1OCC=C

BDBM45217

[O-][N+](=O)c1cccc(NC(=O)c2[nH]ncc2Cl)c1

BDBM45218

Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc12

BDBM45219

CC(=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(Cl)c1)c1cccs1 |w:2.2|

BDBM45220

Cc1ccc(cc1)C1=CC(C)(Nc2nc(nn12)C(F)(F)F)c1ccc(C)cc1 |t:8|

BDBM45221

O=C(NCCN1C(=O)S\C(=C\c2ccccc2)C1=O)C1CCCN1C(=O)c1cccs1

BDBM45222

COc1ccc(\C=C2\N=C(SC3CCOC3=O)N(C2=O)c2cccc(OC)c2)cc1 |t:8|

BDBM45223

CC1CCc2c(C1)sc1nc(CSc3nnc[nH]3)[nH]c(=O)c21

BDBM45224

OC(=O)c1ccc(cc1)N=NCc1ccc(F)c(F)c1 |w:9.9|

BDBM45225

CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(cc2)-n2nc(C)cc2C)c1

BDBM45226

O=C(NN1C(=S)S\C(=C\c2cccnc2)C1=O)C(c1ccccc1)c1ccccc1

BDBM45227

O=C(NCc1ccccn1)c1cc(nc2ccccc12)-c1ccc(cc1)-c1ccccc1

BDBM45228

COc1cc(C)ccc1N(CCCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)c1cccs1

BDBM45229

CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1OC)-c1ccc(F)cc1

BDBM45230

Cc1cccc(C)c1N=Cc1c(O)n(-c2nccs2)c(=O)c2ccccc12 |w:8.8|

BDBM45231

CC(NC(=O)c1ccc(C)cc1)c1ccc(F)cc1

BDBM45232

Cc1cc(C)c(N=Cc2c(O)n(-c3nccs3)c(=O)c3ccccc23)c(C)c1 |w:6.5|

BDBM45233

COc1ccc(cc1)C1CC(=NN1C(=O)COC(=O)c1cccnc1Cl)c1ccccc1 |c:11|

BDBM45234

FC(F)(F)CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc12

BDBM45235

COc1ccc(cc1CSc1nnc(Nc2ccccc2C)s1)C(C)=O

BDBM45236

Cc1cc(C)cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1

BDBM45237

[O-][N+](=O)c1ccccc1\C=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1

BDBM45238

Cc1cccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)c1

BDBM45239

COc1ccc(OC)c(c1)-c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1

BDBM45240

CCN(CC(=O)NC(C)C)C(=O)c1ccc(Cl)cc1

BDBM45241

O=C(Nc1nc(-c2cccs2)c(s1)-c1cccs1)C1(CC1)c1ccccc1

BDBM45242

CCNc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)c1cc(C)n(Cc2ccc3OCOc3c2)c1C

BDBM45243

O=[#6]1-[#6]-[#6]-[#6]-[#6](=O)\[#6]-1=[#7]/[#7]-c1ccc2-[#8]-[#6]-[#8]-c2c1

BDBM45244

C1CN(CCN1c1ccccc1)c1nc(nc2ccccc12)-c1cccs1

BDBM45245

CC1CCc2c(C1)scc2C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1

BDBM45246

CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(C)s1)-c1ccccc1

BDBM45247

[O-][N+](=O)c1ncccc1OCC(=O)Nc1ccc2OC(F)(F)Oc2c1

BDBM45248

Cc1nc(C)c(s1)C(=O)NNS(=O)(=O)c1ccccc1

BDBM45249

CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1

BDBM45250

Clc1ccc(cc1)C(=O)NNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1

BDBM45251

COc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1OC

BDBM45252

COc1ccccc1NS(=O)(=O)c1cc(NC(=O)\C=C\c2cccs2)ccc1N1CCOCC1

BDBM45253

COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)s3)ccc2Cl)cc1

BDBM45254

CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1

BDBM45255

COc1ccc(OCc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc2ccccc2Cl)cc1

BDBM45256

Cc1ccc(cc1)C(=O)CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1

BDBM45257

COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1

BDBM45258

Clc1ccc(Oc2ccccc2)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1

BDBM45259

Cc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1

BDBM45260

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NN=Cc1cc(Br)c(O)c(OC)c1 |w:16.18,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM45261

Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1F

BDBM45262

Clc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|

BDBM45263

CC(NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccc(Cl)cc1)c1ccc2OCCOc2c1

BDBM45264

Cn1nccc1CNC(=O)c1ccnn1C

BDBM45265

CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)C(O)(C1)C(F)(F)F |t:1|

BDBM45266

Fc1ccccc1C(=O)Nc1nc(COc2ccccc2)cs1

BDBM45267

Fc1ccccc1CC(=O)Nc1cccc2cccnc12

BDBM45268

OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Br)cc2)o1)C(F)F)C(F)F |c:3|

BDBM45269

OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Cl)cc2)o1)C(F)F)C(F)F |c:3|

BDBM45270

CC(=NNC(=O)c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)c1cccc(NC(=O)c2cccnc2)c1 |w:2.2|

BDBM50325541

NC(=N)SCc1ccc(Cl)cc1Cl

BDBM45271

CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1

BDBM45272

CC(C)OC(=O)c1sc(N)c(C(=O)OC(C)C)c1C

BDBM45273

Fc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1

BDBM45274

CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1

BDBM45275

COc1ccccc1NC(=O)CSC1=NCCN1 |t:14|

BDBM45276

C\C(C=NNC(=O)c1nn(C)c(C)c1Br)=C/c1ccccc1 |w:3.3|

BDBM45277

NC(=N)SCc1ccccn1

BDBM45278

O=C(NC(=S)Nc1ccccn1)c1cc(nc2ccccc12)-c1ccccc1

BDBM45279

Oc1ccccc1C=NNC(=O)COc1nsnc1N1CCOCC1 |w:8.9|

BDBM45280

CNC(=S)Nc1ccc(C)cc1

BDBM45281

O=S(=O)(N1CCCC1)c1ccc(cc1)N=NC(C#N)C#N |w:14.15|

BDBM45282

CCN(CC)S(=O)(=O)c1ccc(cc1)N=NC(C#N)C#N |w:14.14|

BDBM45283

N1c2ccccc2Sc2nccnc12

BDBM45284

C=CCSC1=NC(=O)\C(S1)=C\c1cccs1 |t:4|

BDBM45285

CCOC(=O)Cc1csc(NC(=S)NC(=O)C(C)(C)C)n1

BDBM45286

Oc1cc(N2CCC(O)(CC2)c2ccc(Br)cc2)c(O)n1-c1ccc(Cl)cc1

BDBM202559

COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1

BDBM202560

COc1cc(OC)c(cc1OC)C(=O)Nc1ccccc1

BDBM202561

COc1ccc(C(=O)Nc2ccccc2)c(OC)c1OC

BDBM202562

COc1cc(OC)c(C(=O)Nc2ccccc2)c(OC)c1

BDBM50363079

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1

BDBM202563

COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(Br)cc1

BDBM202564

COc1ccc(C(=O)Nc2ccc(Br)cc2)c(OC)c1OC

BDBM202565

COc1cc(OC)c(C(=O)Nc2ccc(Br)cc2)c(OC)c1

BDBM202566

COc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1

BDBM202567

COc1ccccc1NC(=O)c1cc(OC)c(OC)cc1OC

BDBM202568

COc1ccccc1NC(=O)c1ccc(OC)c(OC)c1OC

BDBM202569

COc1cc(OC)c(C(=O)Nc2ccccc2OC)c(OC)c1

BDBM202570

COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)cc1OC

BDBM81939

COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

BDBM50109800

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)C(C)C)Cc2cc1OC

BDBM50109789

CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(CC1)c1ncccn1

BDBM50109796

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109806

COc1cc2CCN(CCn3c(nc4cc(ccc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109798

COc1cc2CCN(CCn3c(nc4ccc(N)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109799

CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CC1CCCCC1

BDBM50109810

CCN(CC)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1

BDBM50109811

COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1

BDBM50109783

COc1cc2CCN(CCn3c(nc4c(OC)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109785

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3cccc(c3)N(C)C)Cc2cc1OC

BDBM50109791

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3O)Cc2cc1OC

BDBM50109795

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3)Cc2cc1OC

BDBM50109801

COc1cc2CCN(CCn3c(nc4cc(N)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109788

COc1cc2CCN(CCn3c(nc4c(C)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109807

CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCc1ccncc1

BDBM50109797

COc1cc2CCN(CCn3c(nc4c(Cl)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109790

COc1cc2CCN(CCn3c(nc4cccc(Cl)c4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109782

COc1cc2CCN(CCn3c(nc4ccc(Cl)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109794

COc1ccc(CCN(C)CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)cc1OC

BDBM50109787

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC

BDBM50109809

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc4ccccc4c3)Cc2cc1OC

BDBM50109804

CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(Cc2ccccc2)CC1

BDBM50109792

CCCCCCn1c(nc2ccccc2c1=O)-c1ccc(cc1)N(C)C

BDBM50109786

CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1

BDBM50109808

CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2ccccc2C1

BDBM50109802

COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc4OCOc4c3)Cc2cc1OC

BDBM50109805

COc1cc2CCN(CCn3c(nc4cc(Cl)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50109803

CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1ccccc1

BDBM50109784

COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)CC1

BDBM50109793

COc1cc2CCN(CCn3c(nc4ccc(cc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC

BDBM50140799

O=C(c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1)c1ccccc1

BDBM50140828

Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1

BDBM50140822

COc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1

BDBM50140820

COc1cccc(CNC(=O)c2c3CCCCn3c3c(ncnc23)N2CCN(CCc3ccc(F)c(F)c3)CC2)c1OC

BDBM50140800

Ic1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1

BDBM50140824

O=S(=O)(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12

BDBM50140821

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50140825

Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)NCc4ccccn4)c4CCCCn4c23)cc1F

BDBM50140832

N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12

BDBM50140831

[O-][N+](=O)c1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1

BDBM50140811

COc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1

BDBM50140819

COC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50140803

Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F

BDBM50140798

CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140807

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCCc2ccccc2)CC1

BDBM50140830

Clc1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12

BDBM50140817

[O-][N+](=O)c1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12

BDBM50140826

N#Cc1c2CCCCn2c2c(NCCN3CCc4ccccc4C3)ncnc12

BDBM50140814

Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2cccnc2)cc1F

BDBM50140816

Cc1nc(sc1C)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50140806

NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140827

O=S(=O)(Cc1ccccc1)Nc1ncnc2c(C#N)c3CCCCn3c12

BDBM50140805

CCC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50140815

CN(CCc1ccccc1)c1ncnc2c(C#N)c3CCCCn3c12

BDBM50140808

Clc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1

BDBM50140833

Clc1ccc(CSc2ncnc3c(C#N)c4CCCCCn4c23)cc1

BDBM50140823

CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1

BDBM50140804

Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2ccncc2)cc1F

BDBM50140818

N#Cc1c2CCCCn2c2c(nc(nc12)-c1ccccc1)N1CCN(CCc2ccccc2)CC1

BDBM50140809

Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n3CCCCc3c(C#N)c2n1

BDBM50140810

Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1F

BDBM50140812

Cc1nc(no1)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50140813

O=C(CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12)c1ccccc1

BDBM50140801

C(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(c3CCCCn3c12)-c1ncccn1

BDBM50140802

[O-][N+](=O)c1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1

BDBM50140829

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50140839

[O-][N+](=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140857

Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140864

Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F

BDBM50140846

NC(=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140850

Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140863

[O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140874

Cn1c2nccc(C#N)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140856

Cn1c2cccc([N+]([O-])=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140872

CC(C)Oc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140836

COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140853

CNc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140840

CN(C)c1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140848

Cn1c2ccnc(N3CCOCC3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140835

Cc1nc2n(C)c3c(ncnc3c2c(C(N)=O)c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140858

COc1ccc2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3[nH]c2c1[N+]([O-])=O

BDBM50140841

Cn1c2cccnc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140838

Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(Cl)c32)cc1F

BDBM50140852

[O-][N+](=O)c1cccc2n(Cc3cccnc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140878

COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140862

Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F

BDBM50140867

COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1

BDBM50140869

Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140844

Cc1cc(C#N)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140851

Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140880

Cc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140860

Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F

BDBM50140842

NC(=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140868

[O-][N+](=O)c1ccc2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140876

Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140877

Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140861

[O-][N+](=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140834

CCOC(=O)n1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140855

Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140843

CC(=O)Nc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140871

Nc1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140866

COC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140875

Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140873

COc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140870

CCOC(=O)Cn1c2ccc(cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12)[N+]([O-])=O

BDBM50140847

[O-][N+](=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140859

Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140865

Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C(=O)Nc4ccncc4)c32)cc1F

BDBM50140854

Cn1c2nccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140849

Cn1c2nccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50140837

COc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140845

[O-][N+](=O)c1cccc2n(CCc3ccccc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50140879

NC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50173987

CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

BDBM50173986

Cc1cnc2n(C)c3c(ncnc3c2c1C(N)=O)N1CCN(CCc2ccc(F)c(F)c2)CC1

BDBM50173985

Cc1c(nc2n(C)c3c(ncnc3c2c1C(N)=O)N1CCN(CCc2ccc(F)c(F)c2)CC1)[N+]([O-])=O

BDBM50174854

Cc1onc2c1c(=O)n([C@H]1CCC[C@@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21

BDBM50174852

COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O

BDBM50174855

COc1cc(cc(OC)c1OC)C(=O)NC[C@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O

BDBM50174853

Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21

BDBM50005628

CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC

BDBM50117928

COc1ccc(CCN(CCC[C@](C)(C#N)c2ccc(OC)c(OC)c2)C(C)C)cc1OC

BDBM50001285

CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

BDBM50294060

CN(CCc1ccccc1)C(=S)Nc1ccccc1C(O)=O

BDBM50294047

CCN(CC)C(=S)Nc1sc(C)c(C)c1C(O)=O

BDBM50294030

Cc1sc(NC(=S)N2CCOCC2)c(C(O)=O)c1C

BDBM50111915

COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC

BDBM50294036

CCN(CC)C(=S)Nc1sc2ccccc2c1C(O)=O

BDBM50294040

CCN(CC)C(=O)Nc1sc2CCCCc2c1C(O)=O

BDBM50294052

OC(=O)c1ccccc1NC(=O)N1CCCC1

BDBM50294035

CCN(CC)C(=S)Nc1sc2CCCCCc2c1C(O)=O

BDBM50294055

CCN(CC)C(=O)Nc1cc2ccccc2cc1C(O)=O

BDBM50294051

CN(Cc1ccccc1)C(=O)Nc1ccccc1C(O)=O

BDBM50294032

CCN(CC)C(=S)Nc1sc2CCCc2c1C(O)=O

BDBM50294049

CCN(CC)C(=O)Nc1ccccc1C(O)=O

BDBM50294048

CN(C1CCCCC1)C(=S)Nc1sc(C)c(C)c1C(O)=O

BDBM50294033

CCN(CC)C(=S)Nc1sc2CCCCc2c1C(O)=O

BDBM50294043

CN(C1CCCCC1)C(=S)Nc1sccc1C(O)=O

BDBM50294062

OC(=O)c1ccccc1NC(=S)N1CCNCC1

BDBM50294039

CCN(CC)C(=O)Nc1sc2CCCc2c1C(O)=O

BDBM50294061

OC(=O)c1ccccc1NC(=S)N1CCCC1

BDBM50294042

CCN(CC)C(=S)Nc1sccc1C(O)=O

BDBM50294057

CN(C1CCCCC1)C(=S)Nc1ccccc1C(O)=O

BDBM50294059

CN(Cc1ccccc1)C(=S)Nc1ccccc1C(O)=O

BDBM50294056

CCN(CC)C(=S)Nc1ccccc1C(O)=O

BDBM50294054

Cc1cc(NC(=O)N2CCOCC2)c(cc1C)C(O)=O

BDBM50084979

COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O

BDBM50294044

CCN(CC)C(=S)Nc1scc(C(C)C)c1C(O)=O

BDBM50294034

CCN(CC)C(=S)Nc1sc2CCCC(C)c2c1C(O)=O

BDBM50294037

CN(C1CCCCC1)C(=S)Nc1sc2ccccc2c1C(O)=O

BDBM50294053

CN(C1CCCCC1)C(=O)Nc1ccc(C)cc1C(O)=O

BDBM50294031

CCN(CC)C(=S)Nc1sc(C(N)=O)c(C)c1C(O)=O

BDBM50294046

OC(=O)c1cc(sc1NC(=S)N1CCOCC1)-c1ccccc1

BDBM50294058

CN(C(=S)Nc1ccccc1C(O)=O)c1ccccc1

BDBM50294045

CCN(CC)C(=S)Nc1sc(cc1C(O)=O)-c1ccccc1

BDBM50294041

CCN(CC)C(=O)Nc1ccsc1C(O)=O

BDBM50294050

CN(C1CCCCC1)C(=O)Nc1ccccc1C(O)=O

BDBM50294038

CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O

BDBM23419

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

BDBM23414

COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O

BDBM50295478

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCOCCOCCOc2ccc(cc2)-c2cc(=O)c3cc(C)ccc3o2)cc1

BDBM15236

c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM50033767

c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O

BDBM7460

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

BDBM7458

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

BDBM50241084

COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1

BDBM7462

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

BDBM50305082

COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC

BDBM50305081

COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC

BDBM50305080

COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1

BDBM50324376

CCCCCCOc1nonc1S(=O)(=O)c1ccccc1

BDBM50324349

Nc1no[n+]([O-])c1-c1ccccc1

BDBM50324355

[O-][n+]1onc(C#N)c1-c1ccccc1

BDBM50324366

NC(=O)c1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324350

Nc1c(no[n+]1[O-])-c1ccccc1

BDBM50324362

NC(=O)c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1

BDBM50324368

[O-][n+]1onc(c1C#N)S(=O)(=O)c1ccccc1

BDBM50324367

[O-][n+]1onc(C#N)c1S(=O)(=O)c1ccccc1

BDBM50324378

[O-][n+]1onc(c1-c1ccccc1)-c1ccccc1

BDBM50324379

Cc1no[n+]([O-])c1-c1ccccc1

BDBM50324352

COc1c(no[n+]1[O-])-c1ccccc1

BDBM50324370

CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324361

Cc1c(no[n+]1[O-])S(=O)(=O)c1ccccc1

BDBM50324374

[O-][n+]1onc(Oc2ccccc2)c1S(=O)(=O)c1ccccc1

BDBM50324373

CCC(C)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50300754

NC(=O)c1c(no[n+]1[O-])-c1ccccc1

BDBM50324375

CCCCOc1nonc1S(=O)(=O)c1ccccc1

BDBM50324351

COc1no[n+]([O-])c1-c1ccccc1

BDBM50324356

NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1

BDBM50324357

NS(=O)(=O)c1c(no[n+]1[O-])-c1ccccc1

BDBM50324359

[O-][n+]1onc(c1S(=O)(=O)c1ccccc1)-c1ccccc1

BDBM50324371

CCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324363

CCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324360

Cc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50300758

Cc1c(no[n+]1[O-])-c1ccccc1

BDBM50324353

NC(=O)c1no[n+]([O-])c1-c1ccccc1

BDBM50324369

[O-][n+]1onc(c1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

BDBM50038412

[O-][n+]1onc(c1C#N)-c1ccccc1

BDBM50156304

CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324354

[O-]n1[o+]nc(c1-c1ccccc1)[N+]([O-])=O

BDBM50324365

[O-]n1[o+]nc(c1[N+]([O-])=O)-c1ccccc1

BDBM50324377

CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O

BDBM50324364

CCCCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324372

CC(C)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

BDBM50324358

[O-][n+]1onc(c1-c1ccccc1)S(=O)(=O)c1ccccc1

BDBM50064888

COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O

BDBM50338974

COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O

BDBM17638

Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O

BDBM50103642

Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N

BDBM50349861

CC1=NC(C)=C(C(C1C(=O)Nc1ccccn1)c1ccc[nH]1)C(=O)Nc1ccccn1 |c:4,t:1|

BDBM50349860

CC1=NC(C)=C(C(C1C(=O)Nc1ccccc1)c1ccco1)C(=O)Nc1ccccc1 |c:4,t:1|

BDBM50158460

CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br

BDBM50030659

CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

BDBM50030661

CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

BDBM50030671

CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

BDBM50030672

COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

BDBM50030673

COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

BDBM50030675

COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1

BDBM50030743

O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)-c1ccccc1)-c1ccccc1

BDBM50030677

COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N

BDBM50030679

COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1

BDBM50030734

COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1

BDBM50032256

COc1ccc(cc1)-c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1

BDBM50032261

COc1cccc(c1)-c1ccccc1CCN1CCc2cc(OC)c(OC)cc2C1

BDBM50374731

COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC

BDBM50429195

COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC

BDBM50056292

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1

BDBM50056293

COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1

BDBM50056294

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cccnc1

BDBM50056295

COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1

BDBM50056296

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1

BDBM50056297

COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1

BDBM50056298

COc1ccc(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1OC

BDBM50056300

COc1cc(OC)c(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1

BDBM50056301

COc1ccc(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1

BDBM50056303

COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1F)-c1cccnc1

BDBM50056304

COc1ccc(cc1)C(=O)Nc1ccc(cc1F)-c1cccnc1

BDBM50056305

Fc1cc(ccc1NC(=O)c1ccccc1)-c1cccnc1

BDBM50056306

Fc1cc(ccc1NC(=O)c1cccnc1)-c1cccnc1

BDBM50056307

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1

BDBM50056308

COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1

BDBM50056309

COc1ccc(cc1)-c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(F)c1

BDBM50056310

COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(cc1F)-c1cccnc1

BDBM50056311

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1cc(F)cc(F)c1

BDBM50056312

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(=O)[C@@H](C)NC(C)=O)-c1cc(F)cc(F)c1 |r|

BDBM50056313

COc1cc(cc(OC)c1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1

BDBM50056314

COc1cc(OC)c(cc1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1

BDBM21278

Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

BDBM50091265

COc1cc(OC)c2C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50091264

COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50091087

COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50091112

COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50091138

COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|

BDBM50139424

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

BDBM50139425

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1

BDBM50139426

COC(=O)c1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1

BDBM50139427

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)C#N)CC1

BDBM50139428

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccccc2[N+]([O-])=O)CC1

BDBM50139429

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)S(C)(=O)=O)CC1

BDBM50139430

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1

BDBM50139431

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1

BDBM50139432

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)S(=O)(=O)C(F)(F)F)CC1

BDBM50139433

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(N)cc2)CC1

BDBM50139434

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(NC(C)=O)cc2)CC1

BDBM50139435

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O

BDBM50139436

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc3nonc3c2)CC1

BDBM50139437

COc1cc(OC)c2c(c1)oc(NCCc1ccc(OC)c(OC)c1)cc2=O

BDBM50139438

COc1cc(OC)c2c(c1)oc(NCCCN1CCOCC1)cc2=O

BDBM50052019

CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

BDBM50139439

COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50139440

COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50139441

COc1cc(O)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccccc2[N+]([O-])=O)CC1

BDBM50139442

COc1cc(O)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50139423

O=C(N1CCN(Cc2ccccc2)CC1)c1cc(=O)c2c(OCc3ccccc3)cccc2o1

BDBM50139443

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50139445

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50139448

COc1cccc2oc(cc(=O)c12)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1

BDBM50139449

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccccc2)CC1

BDBM50139444

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(F)c(F)c2)CC1

BDBM50139446

COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CCc2ccccc2)CC1

BDBM50139447

COc1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1

BDBM50168146

N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50168147

N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

BDBM50168148

N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50168149

N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

BDBM50168150

N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50168151

N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

BDBM50168152

N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50168153

N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

BDBM50168154

N#Cc1cn(C2CC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50168155

CC(C)n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12

BDBM50168156

CCCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12

BDBM50168157

CCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12

BDBM50168158

Cn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12

BDBM50168159

N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)c1ccccc1

BDBM50168160

N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1

BDBM50168161

N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

BDBM50168162

N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

BDBM50168163

N#Cc1c2CCCCn2c2c(Nc3ccccc3)ncnc12

BDBM50168164

N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12

BDBM50168165

N#Cc1c2CCCCn2c2c(NCCCc3ccccc3)ncnc12

BDBM50168166

N#Cc1c2CCCCn2c2c(ncnc12)N1CCNCC1

BDBM50168209

CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12

BDBM50168210

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)c1ccccc1

BDBM50168211

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1

BDBM50168213

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

BDBM50201796

[H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(OC)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3 |r|

BDBM50363080

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1ccccc1

BDBM50363081

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1ccccc1

BDBM50363082

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccccc1

BDBM50363083

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363084

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1

BDBM50363085

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O

BDBM50363086

COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(c1)[N+]([O-])=O

BDBM50363087

COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1

BDBM50363088

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1

BDBM50363089

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccnc1

BDBM50363090

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1

BDBM50363091

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc2OCOc2c1

BDBM50363092

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O

BDBM50363093

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(OC)c(OC)c(OC)c1

BDBM50363094

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

BDBM50363095

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc[n+](C)c1

BDBM50363096

COc1ccc(cc1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363097

COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363098

COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC

BDBM50363099

COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC

BDBM50363100

Oc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O

BDBM50363101

Oc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363102

CC(=O)c1cccc(c1)-c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(c1)[N+]([O-])=O

BDBM50363103

Oc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363104

Oc1cc(O)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363105

COc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O

BDBM50363106

COc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)c(c1)[N+]([O-])=O

BDBM50363107

COc1cc(cc(O)c1O)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1

BDBM50363108

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1

BDBM50363109

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363110

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1

BDBM50363111

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc(O)c(O)c1

BDBM50363112

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O

BDBM50363113

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(O)c(O)c(OC)c1

BDBM50363114

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

BDBM50363115

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1ccccc1

BDBM50363116

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1N)-c1ccccc1

BDBM50363117

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1F)-c1ccccc1

BDBM50363073

COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1

BDBM50363074

COc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1

BDBM50363075

COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O

BDBM50363076

COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O

BDBM50363077

COC1=CC(=CC(=O)C1=O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1 |c:4,t:2|

BDBM50363078

COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(O)c(O)c2)cc1OC

BDBM50013920

CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

BDBM50239320

Cc1cc(Nc2ccc(O)c(c2)[N+]([O-])=O)nc(n1)-c1ccccc1

BDBM50022815

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|

BDBM69835

COc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1

BDBM50244521

OC(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1

BDBM50244522

CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O

BDBM50305083

CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[C@@H]4N1C(=O)[C@@H](NC4=O)CCC(=O)OC(C)(C)C

BDBM50379653

CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O |r|

BDBM50394045

COc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1OC

BDBM50277418

COc1ccc(cc1)-c1nc(Nc2ccc(OC)c(OC)c2)c2ccccc2n1

BDBM50444023

COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1

BDBM50277393

COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1

BDBM50409816

CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C

BDBM67690

c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO

BDBM50420218

C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O |r|

BDBM50420219

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|

BDBM50420220

C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|

BDBM50012278

CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|

BDBM50420221

CCCCC\C=C/C\C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O

BDBM22984

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|

BDBM50139772

CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49|

BDBM50368352

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|

BDBM50344959

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O

BDBM50420229

CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C |r,c:1,25|

BDBM50420230

CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)OC2OC([C@H](O)C(O)C2O)C(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C |r,c:1,25|

BDBM50338982

CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC

BDBM50353279

COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC

BDBM50429189

COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1

BDBM50429190

COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC

BDBM50429191

COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(O)ccc4c3)Cc2cc1OC

BDBM50429192

COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC

BDBM50429193

COc1ccc2cc(ccc2c1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)o1

BDBM50429194

COc1cc2CCN(Cc3ccc(o3)-c3ccc4ccccc4c3)Cc2cc1OC

BDBM50429196

COc1cc2CCN(Cc3coc(n3)-c3ccc4ccccc4c3)Cc2cc1OC

BDBM50429197

COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC

BDBM50429198

COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)co1

BDBM50429199

COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC

BDBM50429200

COc1cc2CCN(Cc3csc(n3)-c3ccc4ccccc4c3)Cc2cc1OC

BDBM50429660

COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)C(N)=S)cc3)Cc2cc1OC

BDBM50429661

COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)Cc2cc1OC

BDBM50429662

COc1ccc(cc1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1

BDBM50429663

COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1

BDBM50429664

COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4ccc(F)cc4)cc3)Cc2cc1OC

BDBM50429665

COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC

BDBM50429666

COc1cccc(c1)-c1csc(n1)-c1ccc(Oc2ccc(CN3CCc4cc(OC)c(OC)cc4C3)cc2)nc1

BDBM50429667

COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4cccc(O)c4)cc3)Cc2cc1OC

BDBM50436425

COc1cc2CCN(CCOc3ccc4ccccc4n3)Cc2cc1OC

BDBM50436426

COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccc2ccccc2n1

BDBM50436427

COc1cc2CCN(CCCOc3ccnc4ccccc34)Cc2cc1OC

BDBM50436428

COc1cc2CCN(CCCCCOc3ccc4ccccc4n3)Cc2cc1OC

BDBM50436429

COc1cc2CCN(CCCCOc3ccc4ccccc4n3)Cc2cc1OC

BDBM50436430

COc1cc2CCN(CCCOc3ccc4ccccc4n3)Cc2cc1OC

BDBM50439845

COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50439851

COc1cc(ccc1F)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50014323

c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2

BDBM50439848

COc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50439841

COc1c(oc2c3ccccc3ccc2c1=O)-c1ccccc1

BDBM50404748

COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O

BDBM50439852

COc1ccc(cc1OC)-c1oc2c3ccccc3ccc2c(=O)c1OC

BDBM50439838

COc1ccc(cc1)-c1oc2c3ccccc3ccc2c(=O)c1OC

BDBM50444006

COc1ccc(cc1OC)-c1nc(Nc2cccc(Br)c2)c2ccccc2n1

BDBM50444008

COc1ccc(Nc2nc(nc3ccccc23)-c2ccc(OC)c(OC)c2)cc1OC

BDBM50452779

[H][C@]12C\C(=N/N=C\c3ccc(O)c(OC)c3)c3[nH]c4ccccc4c3C[C@@]([H])([C@@H]1C(=O)OC)N(C)C[C@H]2CC |r|

BDBM50452780

[H][C@]12C\C(=N/N=C\c3ccc(O)c(OC)c3)c3[nH]c4ccccc4c3C[C@@]([H])([C@@H]1C(=O)OC)N(C)C[C@@H]2CC |r|

BDBM50465852

O=c1cc(oc2ccccc12)-c1ccc(OCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1

BDBM50465853

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50465854

O=c1cc(oc2cc(OCCOCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50465855

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

BDBM50465856

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50465857

Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1

BDBM50465858

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1

BDBM50465859

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50465860

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

BDBM50465861

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

BDBM50465862

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

BDBM50465863

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50465864

O=c1cc(oc2cc(OCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50465865

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50465866

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1

BDBM50465867

Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1

BDBM50465868

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(C)ccc4o3)nn2)cc1

BDBM50465869

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1

BDBM50465870

Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50465871

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1

BDBM50465872

Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1

BDBM50485562

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O)c4c(O)c3C(=O)c12)C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r|

BDBM50485563

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c4c(O)c3C(=O)c12)C(=O)CO |r|

BDBM50485564

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r|

BDBM50366524

C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O

BDBM50420244

C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O |r|

BDBM50485596

CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r|

BDBM50485597

CCCCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

BDBM50390978

C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C |r|

BDBM50485609

COc1cc2[C@H](OC(=O)c3ccccc3)[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3-c2c(OC)c1OC |r|

BDBM50485610

COc1cc2C[C@H](C)[C@@](C)(O)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC |r|

BDBM50341711

COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC

BDBM50485611

COc1cc2C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC |r|

BDBM50485612

COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r|

BDBM50074016

CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(Cl)cc1)C(=O)OCC |c:5,10|

BDBM50505432

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(nn3)-c3cccc(c3)-c3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1

BDBM50505433

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN4CCCN(Cc5cn(CCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1

BDBM50505438

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505442

O=c1cc(oc2cc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505444

O=c1cc(oc2cc(OCCCCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505446

O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505449

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505458

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(nn3)-c3cccc(c3)-c3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1

BDBM50505461

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505468

O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505469

Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1

BDBM50505470

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1

BDBM50505464

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1

BDBM50505435

O=c1cc(oc2cc(OCCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505478

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505439

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505445

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505479

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

BDBM50505487

O=c1cc(oc2cc(OCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505488

O=c1cc(oc2cc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505480

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CN(Cc3cn(CCOCCOc4ccc(cc4)-c4cc(=O)c5ccccc5o4)nn3)Cc3ccccc3)nn2)cc1

BDBM50505447

O=c1c(OCc2ccccc2)c(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)Cc3ccccc3)nn2)cc1

BDBM50505459

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1

BDBM50505440

O=c1cc(oc2cc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505484

O=c1cc(oc2cc(OCCn3cc(CN(Cc4cn(CCOc5ccc6c(c5)oc(cc6=O)-c5ccccc5)nn4)Cc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505485

OCCOCCn1cc(CN(Cc2cn(CCOCCO)nn2)Cc2ccccc2)nn1

BDBM50505448

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

BDBM50505483

O=c1cc(oc2cc(OCCN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1

BDBM50505457

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(nn3)-c3ccc(cc3)-c3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1

BDBM50505456

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1

BDBM50505460

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1

BDBM50505454

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccncc4)nn3)cc2)c1

BDBM50505453

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1

BDBM50505452

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)CCN(C)Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1

BDBM50505495

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1

BDBM50505492

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)cc2)c1

BDBM50505430

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)Cc3ccccc3)nn2)cc1

BDBM50505493

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1

BDBM50505473

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505474

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505475

Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505431

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

BDBM50505437

O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505477

O=c1cc(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505441

O=c1cc(oc2cc(OCCOCCOCCn3cc(CN(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)Cc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50505472

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505466

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

BDBM50505455

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)c4ccccc4)nn3)cc2)c1

BDBM50505467

Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505462

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

BDBM50505463

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCOc4ccc(cc4)-c4cc(=O)c5ccc(F)cc5o4)nn3)cc2)c1

BDBM50505489

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505436

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

BDBM50505490

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4cc(=O)c5cc(C)ccc5o4)nn3)Cc3ccccc3)nn2)cc1

BDBM50505443

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1

BDBM50505482

COc1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(OC)c5)nn4)Cc4ccccc4)nn3)cc2)c1

BDBM50505486

O=c1cc(oc2cc(OCCN(Cc3cn(CCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)Cc3ccccc3)ccc12)-c1ccccc1

BDBM50505450

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(nn3)-c3ccc(cc3)-c3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1

BDBM50505434

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)c4ccccc4)nn3)cc2)c1

BDBM50505451

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1

BDBM50505491

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1

BDBM50505471

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1

BDBM50505494

Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1

BDBM50505476

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

BDBM50505481

O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CNCc3cn(CCOCCOCCOc4ccc(cc4)-c4cc(=O)c5ccccc5o4)nn3)nn2)cc1

BDBM50505465

O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1

BDBM50506879

COc1cc2CCN(CCc3ccc(COc4ccc5c(C)c(C)c(=O)oc5c4)cc3)Cc2cc1OC

BDBM50506881

Cc1c(C)c(=O)oc2cc(OCCN3CCc4ccccc4C3)ccc12

BDBM50506893

COc1cc2CCN(CCCCCOc3ccc4cc(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC

BDBM50506894

COc1cc2CCN(CCCCOc3ccc4cc(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC

BDBM50506891

COc1cc2CCN(CCCCCOc3ccc4c(C)c(Br)c(=O)oc4c3)Cc2cc1OC

BDBM50506895

COc1cc2CCN(CCCCOc3ccc4c(C)c(Cl)c(=O)oc4c3)Cc2cc1OC

BDBM50506887

COc1cc2CCN(Cc3cccc(COc4ccc5c(C)c(C)c(=O)oc5c4)c3)Cc2cc1OC

BDBM50506886

COc1cc2CCN(C\C=C\COc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506885

COc1cc2CCN(CCCCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506896

COc1cc2CCN(CCCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506883

COc1cc2CCN(CCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506878

Cc1c(C)c(=O)oc2cc(OCCCCCN3CCc4ccccc4C3)ccc12

BDBM50506882

Cc1c(C)c(=O)oc2cc(OCCCCN3CCc4ccccc4C3)ccc12

BDBM50506888

COc1cc2CCN(Cc3cccc(COc4ccc5ccc(=O)oc5c4)c3)Cc2cc1OC

BDBM50506897

COc1cc2CCN(CCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506892

COc1cc2CCN(CCCCCOc3ccc4c(c3)oc(=O)c3ccccc43)Cc2cc1OC

BDBM50506890

COc1cc2CCN(CCCCCOc3ccc4c(C)c(Cl)c(=O)oc4c3)Cc2cc1OC

BDBM50506898

COc1cc2CCN(Cc3ccc(COc4ccc5c(C)c(C)c(=O)oc5c4)cc3)Cc2cc1OC

BDBM50506884

COc1cc2CCN(CCCCOc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506899

Cc1c(C)c(=O)oc2cc(OCCCN3CCc4ccccc4C3)ccc12

BDBM50506889

COc1cc2CCN(Cc3ccccc3COc3ccc4c(C)c(C)c(=O)oc4c3)Cc2cc1OC

BDBM50506880

COc1cc2CCN(CCCCCOc3ccc4c(C)c(-c5ccccc5)c(=O)oc4c3)Cc2cc1OC

BDBM50507005

COc1ccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)cc1OC

BDBM50507003

N#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)c1

BDBM50507027

COc1ccc(Nc2nc(nc3ccccc23)-c2cccs2)cc1OC

BDBM50512896

Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1

BDBM50512898

CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(C(N)=O)c3ccccc3)c21)-c1cccnc1

BDBM50512899

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM50512903

O=C(N1CCN(Cc2cccs2)CC1)c1cc(nc2ccccc12)-c1cccnc1

BDBM50299148

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

BDBM50515946

COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515944

COc1cc(\C=C\C(=O)OCCCN(C)C[C@@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515956

COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515957

COc1cc(\C=C\C(=O)OCCCCCN(C)C[C@@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515953

COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515958

COc1cc(\C=C\C(=O)OCCCCCCCN(C)C[C@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515954

COc1cc(\C=C\C(=O)OCCCCCCCN(C)C[C@@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515959

COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515960

COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515942

COc1cc(\C=C\C(=O)OC[C@H](C)CN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50515943

COc1cc(\C=C\C(=O)OCCCCCN(C)C[C@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|

BDBM50524182

COc1cc(\C=C\C(=O)OCCCCCCCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

BDBM50524187

COc1cc(\C=C\C(=O)OCCCCCCN(C)CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

BDBM50524188

COc1cc(\C=C\C(=O)OCCCCCCCCN(C)CCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

BDBM50524185

COc1cc(\C=C\C(=O)OCCN(C)CCCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

BDBM50531539

COc1ccc(NC(=O)COc2ccc(cc2)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC

BDBM50532287

CSc1cccc(Nc2cc(nc3ccccc23)-c2ccccc2)c1

BDBM50532291

CSc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1

BDBM50033332

COC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1

BDBM50532292

CC(=O)Nc1cccc(Nc2cc(nc3ccccc23)-c2ccccc2)c1

BDBM50532285

OC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1

BDBM50068270

COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C

BDBM50511112

COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2

BDBM50379211

COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1

BDBM50557266

CC(C)Nc1cc(Nc2ccc(cc2)C#N)nc(n1)-c1ccccc1

BDBM50557267

CCCNc1cc(Nc2ccc(cc2)C#N)nc(n1)-c1ccccc1

BDBM50557275

N#Cc1ccc(Nc2cc(NCc3cccnc3)nc(n2)-c2ccccc2)cc1

BDBM50557278

Oc1cccc(Nc2cc(Nc3ccc(cc3)C#N)nc(n2)-c2ccccc2)c1

BDBM50557279

Oc1ccc(Nc2cc(Nc3ccc(cc3)C#N)nc(n2)-c2ccccc2)cc1

BDBM50560765

Cc1cc(Nc2cccc(c2)[N+]([O-])=O)nc(n1)-c1ccccc1

BDBM50560766

Cc1cc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)-c1ccccc1

BDBM50560769

COc1cccc(Nc2cc(C)nc(n2)-c2ccccc2)c1

BDBM50560770

Cc1cc(Nc2cccc(F)c2)nc(n1)-c1ccccc1

BDBM50560771

Cc1cc(Nc2cccc(Cl)c2)nc(n1)-c1ccccc1

BDBM50560772

Cc1cc(Nc2cccc(Br)c2)nc(n1)-c1ccccc1

BDBM50560778

COc1cc(Nc2cc(C)nc(n2)-c2ccccc2)ccc1Br

BDBM50560779

COc1ccc(Nc2cc(C)nc(n2)-c2ccccc2)cc1F

BDBM50560780

COc1ccc(Nc2cc(C)nc(n2)-c2ccccc2)cc1C(F)(F)F

BDBM50560783

Cc1cc(Nc2ccc3ncccc3c2)nc(n1)-c1ccccc1

BDBM50560784

Cc1cc(Nc2ccc3nccnc3c2)nc(n1)-c1ccccc1

BDBM50560781

Cc1cc(Nc2ccc3OCCOc3c2)nc(n1)-c1ccccc1

BDBM50560782

Cc1cc(Nc2ccc3C(=O)NC(=O)c3c2)nc(n1)-c1ccccc1

BDBM50572420

COc1cc(cc(OC)c1OC)-c1noc(COc2cc(C)nc3cccc(C)c23)n1

BDBM50572421

CC(C)c1ccc2ncc(C#N)c(N3CCCN(CC3)c3nnc(s3)C(F)(F)F)c2c1

BDBM50572422

COc1ccc2nc(nc(N(Cc3nc(no3)-c3cccnc3)C(C)C)c2c1)C(F)(F)F

BDBM50572423

Cc1ccc2cccc(c2n1)S(=O)(=O)N1CCN(CC1)c1nccc2sccc12

BDBM50572424

COc1ccc2ncc(C#N)c(N3CCC(Cc4nc(no4)C(C)C)CC3)c2c1

BDBM50075373

COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC

BDBM50206310

COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O

BDBM50567579

COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC

BDBM50573301

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCC#C)cc2)c1

BDBM50573307

[H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C[C@H](CCC(=O)OC(C)(C)C)NC2=O |r|

BDBM50573308

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCN=[N+]=[N-])cc2)c1

BDBM50573309

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCN=[N+]=[N-])cc2)c1

BDBM50573310

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCc3cn(CCOCCO)nn3)cc2)c1

BDBM50573311

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCc3cn(Cc4ccccc4)nn3)cc2)c1

BDBM50573312

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(C)Cc4ccccc4)nn3)cc2)c1

BDBM50573313

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCN4C(=O)c5ccccc5C4=O)nn3)cc2)c1

BDBM50573314

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4ccccc4)Cc4ccccc4)nn3)cc2)c1

BDBM50573315

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CNc4ccccc4)nn3)cc2)c1

BDBM50573316

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(C)Cc4ccccc4)nn3)cc2)c1

BDBM50573317

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCN4C(=O)c5ccccc5C4=O)nn3)cc2)c1

BDBM50573318

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc(C=O)cc4)nn3)cc2)c1

BDBM50573319

COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(CCO)Cc4ccccc4)nn3)cc2)c1

BDBM50581480

COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1ccc(OC)c(OC)c1 |r|

BDBM50581481

COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1ccc(OC)c(OC)c1 |r|

BDBM50111908

COc1cc(cc(OC)c1OC)N(C)C(=O)Cc1cccc(c1)-n1c2cccc(Cl)c2c2noc(C)c2c1=O

BDBM50615466

COc1ccc(C(=O)\C=C\c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2OC)c1

BDBM50615467

N#Cc1cn(Cc2ccccc2)c2c(NCCCc3ccccc3)ncnc12

BDBM50615469

CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[C@@H]4N1C(=O)[C@@H](NC4=O)CCC(=O)OC(C)(C)C

BDBM50615470

N#Cc1c2CCCCCn2c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50615485

N#Cc1c2CCCCn2c2c(NCCc3c[nH]c4ccccc34)ncnc12

BDBM50615486

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccncc2)CC1

BDBM50615487

N#Cc1c2CCCCCn2c2c(ncnc12)N1CCN(CCc2ccncc2)CC1

BDBM50615488

N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)c1ccccn1

BDBM50615489

Cn1cc(C#N)c2ncnc(N3CCN(CCc4c[nH]c5ccccc45)CC3)c12

BDBM50615490

CCn1cc(C#N)c2ncnc(N3CCN(CCc4c[nH]c5ccccc45)CC3)c12

BDBM50615491

CCCn1cc(C#N)c2ncnc(N3CCN(CCc4c[nH]c5ccccc45)CC3)c12

BDBM50615471

N#Cc1cn(C2CC2)c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50615472

N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50615473

N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50615474

N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50615475

N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1

BDBM50615476

N#Cc1c2CCCCCn2c2c(ncnc12)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM50615492

N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM50615493

N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM50615494

O=C(N1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12)c1ccco1

BDBM50615495

O=C(N1CCN(CC1)c1ncnc2c(C#N)c3CCCCCn3c12)c1ccco1

BDBM50615496

COc1ccccc1-n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12

BDBM50615477

COc1ccccc1-n1cc(C#N)c2ncnc(N3CCN(Cc4ccccc4)CC3)c12

BDBM50615497

CCOc1ccc(cc1)-n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12

BDBM50615478

CCOc1ccc(cc1)-n1cc(C#N)c2ncnc(N3CCN(Cc4ccccc4)CC3)c12

BDBM50615479

C(Cc1c[nH]c2ccccc12)N1CCN(CC1)c1ncnc2c1[nH]c1ccccc21

BDBM50615480

C(Cc1ccccn1)N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12

BDBM50615481

C1CN(CCN1c1ccccn1)c1ncnc2c3ccccc3[nH]c12

BDBM50615482

C(Cc1ccccc1)N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12

BDBM36901

C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccccc1

BDBM50615483

C1CN(CCN1C(c1ccccc1)c1ccccc1)c1ncnc2c3ccccc3[nH]c12

BDBM50615498

C1CN(CCN1c1ccccc1)c1ncnc2c3ccccc3[nH]c12

BDBM50615484

C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccc2OCOc2c1

BDBM43502

O=C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccco1

BDBM50616338

COC(=O)C(=C\c1cn(CC(=O)Nc2ccccc2OC)c2ccccc12)\C#N

BDBM50616339

COC(=O)C(=C\c1cn(CC(=O)Nc2cccc(OC)c2)c2ccccc12)\C#N

BDBM50620366

[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](NC(=O)[C@@H]4CCCN4)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(C)CC[C@@H](O1)C(C)(C)O |r|

BDBM50651323

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(/C=C/c4cc(OC)c(OC)c(OC)c4)n3)cc1)CC2

BDBM50651324

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)c(OC)c4)n3)cc1)CC2

BDBM50651325

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4ccc(OC)c(OC)c4OC)n3)cc1)CC2

BDBM50651326

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4ccccc4OC)n3)cc1)CC2

BDBM50651327

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4c(OC)ccc5ccccc45)n3)cc1)CC2

BDBM50651328

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4c(OC)c(OC)cc5ccccc45)n3)cc1)CC2

BDBM50651329

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cccc(OC)c4OC)n3)cc1)CC2

BDBM50651330

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4c(OC)cccc4OC)n3)cc1)CC2

BDBM50651331

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3/C=C/c3cc(OC)c(OC)c(OC)c3)cc1)CC2

BDBM50651332

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3cc(OC)c(OC)c(OC)c3)cc1)CC2

BDBM50651333

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3ccc(OC)c(OC)c3OC)cc1)CC2

BDBM50651334

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3ccccc3OC)cc1)CC2

BDBM50651335

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3c(OC)ccc4ccccc34)cc1)CC2

BDBM50651336

COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnnc3-c3c(OC)c(OC)cc4ccccc34)cc1)CC2

BDBM50651337

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(/C=C/c4cc(OC)c(OC)c(OC)c4)o3)cc1)CC2

BDBM50651338

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)cc1)CC2

BDBM50651339

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4ccc(OC)c(OC)c4OC)o3)cc1)CC2

BDBM50651340

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4ccccc4OC)o3)cc1)CC2

BDBM50651341

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4c(OC)ccc5ccccc45)o3)cc1)CC2

BDBM50651342

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4c(OC)c(OC)cc5ccccc45)o3)cc1)CC2

BDBM50651343

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4cccc(OC)c4OC)o3)cc1)CC2

BDBM50651344

COc1cc2c(cc1OC)CN(CCc1ccc(-c3nnc(-c4c(OC)cccc4OC)o3)cc1)CC2