SMILES for Cytochrome P450 1A2

3948 SMILES Strings for Cytochrome P450 1A2

Compound Name

SMILES String

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

BDBM106203

COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O |r|

BDBM164620

COc1ccc(CC([O-])=O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C

BDBM50236897

Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1

BDBM155253

CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1 |r,wU:3.2,wD:6.9,(-6.67,1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-5.33,5.39,;-4,6.16,;-2.67,5.39,;-2.67,3.85,;-4,7.7,;-5.33,8.47,;-2.67,8.47,;-2.67,.77,;-1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-6.67,-7.7,;-8,-8.47,;-6.67,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-2.67,-.77,;-4,-1.54,;1.33,1.54,;2.67,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,.77,;8,-.77,;2.67,3.85,;1.33,3.08,)|

BDBM155254

CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1 |r,wU:3.2,wD:6.9,(-6,1.54,;-4.67,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,6.16,;-2,5.39,;-2,3.85,;-3.33,7.7,;-2,8.47,;-4.67,8.47,;-6,7.7,;-7.34,8.47,;-8.67,7.7,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;.67,-3.85,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-2,-8.47,;-4.67,-8.47,;-6,-7.7,;-7.34,-8.47,;-6,-6.16,;-4.67,-5.39,;-4.67,-3.85,;-2,-.77,;-3.33,-1.54,;2,1.54,;3.33,2.31,;4.67,3.08,;6,2.31,;6,.77,;7.34,,;8.67,.77,;8.67,2.31,;7.34,3.08,)|

BDBM155255

CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1

BDBM316950

Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316951

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(COC)c23)c1F

BDBM316952

CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F

BDBM316953

COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)CC(C)C)c3F)c12

BDBM316954

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F

BDBM316955

CCOc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316956

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F

BDBM316957

CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F

BDBM316958

CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F

BDBM316959

COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12

BDBM316960

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CC3)c12

BDBM316961

Oc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316962

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCOCC3)c12

BDBM316963

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(CC(C)C)c23)c1F

BDBM316964

CC(C)Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316965

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Cl)c12

BDBM316969

CC(C)CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316973

CCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316974

COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12

BDBM316975

CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316976

Cc1cc(C)cc(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F

BDBM316977

CC(C)COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316978

CC(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316979

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F

BDBM316980

Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316981

CCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316982

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F

BDBM316983

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F

BDBM316984

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCCC3)c12

BDBM316986

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Nc3ccccc3)c12

BDBM316987

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OCC)c23)c1F

BDBM316988

CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316989

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F

BDBM316990

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F

BDBM316991

CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F

BDBM316992

OCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316993

CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12

BDBM316994

CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12

BDBM316995

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCOCC4)c23)c1F

BDBM316996

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCOCC4)c23)c1F

BDBM316997

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccc4)c23)c1F

BDBM316998

CN(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM316999

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3COC3)c12

BDBM317000

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F

BDBM317001

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NCC3CC3)c12

BDBM317002

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(OCC3CC3)c12

BDBM317003

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCOC3)c12

BDBM317004

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F

BDBM317005

CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4COC4)c23)c1F

BDBM317006

CN1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM317007

COCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM317008

CN(C)CCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12

BDBM317009

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4COC4)c23)c1F

BDBM317010

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(N3CCCC3)c12

BDBM317011

Cn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1

BDBM317012

CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1

BDBM317030

CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12

BDBM317031

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCc4ccccc4)c23)c1F

BDBM317032

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccn4)c23)c1F

BDBM317033

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccnc4)c23)c1F

BDBM317034

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCC4CC4)c23)c1F

BDBM317035

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCCC4)c23)c1F

BDBM317036

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)nc4)c23)c1F

BDBM317037

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cn(C)nc4C)c23)c1F

BDBM317038

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)cc4F)c23)c1F

BDBM317039

Fc1ccccc1S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F

BDBM317040

Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F

BDBM317041

Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F

BDBM317042

CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12

BDBM317043

Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCC4CC4)c23)c1F

BDBM317044

COc1cccc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cc(F)ccc5F)c4F)c23)c1

BDBM317045

CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cc(F)ccc5F)c4F)c23)cn1

BDBM317046

COc1cccc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccccc5F)c4F)c23)c1

BDBM317047

COCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12

BDBM317048

CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccccc5F)c4F)c23)cn1

BDBM317049

Cc1nn(C)cc1Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12

BDBM317013

CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F

BDBM317021

Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O

BDBM320166

C[C@@H](NC(=O)c1cc(OC[C@@]2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

BDBM319844

C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|

BDBM319852

C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|

BDBM319859

C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|

BDBM319881

C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|

BDBM319996

CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F |r|

BDBM320017

CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|

BDBM320165

C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|

BDBM319995

CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|

BDBM320181

C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|

BDBM21358

NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12

BDBM93132

CC(C)(O)CCCC1(C)CC(=O)c2cc(O)c(Br)cc2O1

BDBM93133

CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9|

BDBM103338

OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

BDBM103334

CCOC(=O)\C=C\c1c(OC)ccc2cc(ccc12)-c1cccc(OC)c1

BDBM50335815

CS(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

BDBM50335817

COc1ccc(cn1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

BDBM103346

CNC(=O)\C=C\c1cc(OC)cc(c1)-c1ccc2cc(OC)ccc2c1

BDBM174941

COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2F)cn1

BDBM174934

COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(F)cc34)c(F)n2)cn1

BDBM174937

COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(NC(C)=O)cc23)c(F)n1

BDBM174938

CS(=O)(=O)Nc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1

BDBM174927

Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)c1

BDBM174965

Clc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1

BDBM174966

Fc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1

BDBM174936

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1

BDBM174928

COc1cnc2[nH]cc(Cc3ccc(NCc4cncc(F)c4)nc3F)c2c1

BDBM174929

COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1

BDBM174930

COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(OC)nc4)nc3F)c2c1

BDBM174931

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3F)c2c1

BDBM174932

COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c2c1

BDBM174942

COc1ccnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c12

BDBM174943

COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1

BDBM174944

COc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4OC)nc3F)c2c1

BDBM174946

COc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1

BDBM174947

COc1cnc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cc1F

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM174949

COc1ncccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1

BDBM174950

COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1

BDBM174918

COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1

BDBM174951

Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3F)c2c1

BDBM174952

FC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1

BDBM174919

COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1

BDBM174953

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(C)c4)nc3F)c2c1

BDBM174955

COc1cc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(F)cn1

BDBM174956

COc1ncc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cc1F

BDBM174957

Cc1cc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)ccn1

BDBM174911

Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(Cl)nc4)nc3)c2c1

BDBM174912

Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(C)n4)nc3)c2c1

BDBM174913

Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCOCC4)nc3)c2c1

BDBM174914

Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCCC4)nc3)c2c1

BDBM174920

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1

BDBM174921

COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(OC)n1

BDBM174922

Cc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1

BDBM174923

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(F)c4)nc3F)c2c1

BDBM174924

Cc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)nc1

BDBM174915

COc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1

BDBM174958

Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(nc4)C(F)(F)F)c(F)c3)c2c1

BDBM174959

COc1cnc2[nH]cc(Cc3cnc(NCc4ccc(nc4)C(F)(F)F)c(F)c3)c2c1

BDBM174961

Cn1cc(F)cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1=O

BDBM174963

COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)cc1F

BDBM174964

Fc1cc(Cc2c[nH]c3ncc(Cl)cc23)cnc1NCc1ccc(nc1)C(F)(F)F

BDBM174967

COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(cc23)C#N)c(F)n1

BDBM174925

CCS(=O)(=O)Nc1ccccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1

BDBM189322

CCCCCCCCCCCC(=O)OCC(CCP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC

BDBM190404

CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC

BDBM213822

c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F

BDBM213823

c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F

BDBM214688

Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1

BDBM214689

Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1

BDBM214690

Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1

BDBM26197

CC(=O)Nc1ccc(cc1)O

BDBM234497

COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1

BDBM235143

Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O |r|

BDBM7841

Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|

BDBM247999

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12

BDBM248000

Clc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248001

COc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248002

Fc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248003

Fc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248004

Fc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248005

Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248006

Oc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248007

COc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2

BDBM248009

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM248010

Cc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2

BDBM248011

Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM247958

Cc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248012

Brc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248013

Brc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1

BDBM247959

Brc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248014

Clc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2

BDBM248015

Clc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248017

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(ccc12)C#N

BDBM248018

FC(F)(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248019

O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12

BDBM248020

FC(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248021

COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM248022

COc1cc(F)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247960

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C

BDBM247988

Clc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248023

COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247961

COc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247989

COc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248024

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl

BDBM247962

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1OC

BDBM247963

Fc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247964

Clc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247965

Cc1c(F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247966

Cc1cc(F)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248025

Cc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247990

Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247967

COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br

BDBM247968

COc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247969

Cc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247970

Cc1cc(Cl)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM248026

Fc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM248027

Fc1cc2c(c[nH]c2cc1Cl)C(=O)OCC12CCN(CC1)CC2

BDBM247971

Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM247972

Cc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

BDBM248028

Cc1cc2c(c[nH]c2cc1O)C(=O)OCC12CCN(CC1)CC2

BDBM248029

COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1C

BDBM248030

COc1cc2c(c[nH]c2cc1F)C(=O)OCC12CCN(CC1)CC2

BDBM248032

Oc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F

BDBM247973

Cc1cc(cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12)C#N

BDBM247980

Cc1cc(O)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

BDBM247367

Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1

BDBM247368

Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1

BDBM247371

Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1

BDBM247369

Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1

BDBM247370

Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1

BDBM251580

CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|

BDBM251588

CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|

BDBM506363

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM506377

CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM506379

CC(C)CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12

BDBM506386

CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N

BDBM506393

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cc1C#N)-c1ncnc2[nH]ccc12

BDBM506394

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(Cl)n1)-c1ccnc2[nH]ccc12

BDBM506395

CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1ncnc2[nH]ccc12

BDBM506396

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(Cl)cnc2[nH]ccc12

BDBM506397

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

BDBM50493818

COc1ccsc1CNCC[C@]2(CCOC3(C2)CCCC3)c4ccccn4

BDBM518560

COc1ccsc1CNCC[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1 |r|

BDBM518563

C(C[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1)NCc1scc2CCCc12 |r|

BDBM518570

Clc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccccn2)c1 |r|

BDBM518571

Cc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccccn2)c1 |r|

BDBM518578

Fc1ccc(nc1)[C@]1(CCNCc2cccc(Cl)c2)CCO[C@]2(CCOC2)C1 |r|

BDBM518580

Fc1cc(Cl)cc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccccn2)c1 |r|

BDBM518586

Cc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccc(F)cn2)c1 |r|

BDBM518587

Fc1ccc(nc1)[C@]1(CCNCc2cccc(F)c2)CCO[C@]2(CCOC2)C1 |r|

BDBM518593

Fc1ccc(nc1)[C@]1(CCN[C@H]2CCc3ccccc23)CCO[C@]2(CCOC2)C1 |r|

BDBM581350

O=C(C1CCCN(Cc2ccccc2)C1)c1ccncc1

BDBM581351

O=C(C1CCCN(Cc2ccccc2)C1)c1ncccn1

BDBM581355

O=C(C1CCCN(Cc2ccccc2)C1)c1ccccn1

BDBM461256

Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccco1

BDBM461257

Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccccc1

BDBM461258

Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1cccs1

BDBM461260

Nc1ccc(cc1NC(=O)c1cc2ccc(cc2cn1)N1CCNCC1)-c1ccccc1

BDBM461261

Nc1ccc(cc1NC(=O)c1cnc2cc(ccc2c1)N1CCNCC1)-c1ccoc1

BDBM461263

CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccncc1

BDBM461264

CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccncc1

BDBM461266

CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1cccs1

BDBM461267

Cc1nc(sc1C(=O)Nc1cc(ccc1N)-c1cccs1)N1CCNCC1

BDBM461268

Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccncc1

BDBM582644

CCc1ccc(NC(=O)c2cc(coc2=N)C(=O)c2cc(OC)ccc2O)cc1

BDBM582646

Clc1ccccc1CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1

BDBM582665

CC1N=C(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)SC1CC(N)=O |t:2|

BDBM582671

COC(C)C(=O)Nc1cccc(NC(C(N)=O)c2ccccc2)c1

BDBM582672

CCCC(=O)Nc1ccc(cc1)C(=O)C(C)OC(=O)c1n[nH]c2ccccc12

BDBM582675

Clc1cc2NC(=O)COc2cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1

BDBM582676

Oc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1

BDBM582682

Oc1ccccc1NC(=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2O)cc1

BDBM582683

O=C(Nc1cccnc1)c1cccc(CNc2ccc3NC(=O)COc3c2)c1

BDBM582686

Oc1ccccc1NC(=O)c1cccc(CNc2ccc3NC(=O)COc3c2)c1

BDBM582691

Clc1ccc(NC(=O)c2cn[nH]c2)cc1C(=O)Nc1ccc2NC(=O)COc2c1

BDBM582699

Clc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1

BDBM600612

FC(F)(F)c1nnc2cnc(cn12)-c1ccc(cc1)C(F)(F)F

BDBM600613

Cc1cc(ccc1C(F)(F)F)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600614

FC(F)(F)c1nnc2ccc(nn12)-c1ccc(cc1)C(F)(F)F

BDBM600615

Fc1cc(ccc1-c1cn2c(nnc2cn1)C(F)(F)F)C(F)(F)F

BDBM600616

COc1cc(OC(F)(F)F)ccc1-c1cn2c(nnc2cn1)C(F)F

BDBM600617

COc1cc(OC(F)(F)F)ccc1-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600618

FC(F)Oc1ccc(cc1)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600619

Fc1cc(ccc1OC(F)(F)F)-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600620

COC(F)(F)c1nnc2cnc(cn12)-c1ccc(OC(F)(F)F)cc1

BDBM600621

FC(F)(F)c1nnc2ccc(nn12)-c1ccc(cc1)[C@H]1CC1(F)F |r|

BDBM600622

FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2n1)C(F)(F)Cl

BDBM600623

FC(F)(F)OCc1ccc(cc1)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600624

FC(F)(F)Oc1ccc(cc1)-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600625

FC(F)c1nnc2cnc(cn12)-c1ccc(OC(F)(F)F)cc1

BDBM600671

FC(F)(F)Oc1ccc(cc1)-c1cnc(NNC(=O)C2(F)CC2)cn1

BDBM600672

FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc([C@H]3CC3(F)F)n2n1 |r|

BDBM600673

FC(F)c1nnc2cnc(cn12)-c1ccc(OC(F)(F)F)cc1F

BDBM50173494

FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600675

COCc1cc(ccc1-c1cn2c(nnc2cn1)C(F)(F)F)C(F)(F)F

BDBM600676

Cc1cc(ccc1-c1cn2c(nnc2cn1)C(F)(F)F)C(F)(F)F

BDBM600677

Fc1cc(OC(F)(F)F)ccc1-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600678

FC(F)(F)Cc1nnc2ccc(nn12)-c1ccc(OC(F)(F)F)cc1

BDBM600679

Cc1cc(ccc1-c1ccc2nnc(n2n1)C(F)(F)F)C(F)(F)F

BDBM600680

FC(F)(F)c1nnc2ccc(nn12)-c1ccc(cc1)C1(CC1)C#N

BDBM600681

COCc1cc(OC(F)(F)F)ccc1-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600682

CC(C)Oc1ccc(cc1)-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600683

Fc1cc(cnc1OC1CC(F)(F)C1)-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600684

Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1

BDBM600685

COCc1cc(ccc1OC(F)(F)F)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600686

Cc1cc(OC(F)(F)F)ccc1-c1cn2c(nnc2cn1)C(F)F

BDBM600687

Cc1cc(OC(F)(F)F)ccc1-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600688

Cc1cc(ccc1-c1ccc2nnc(n2n1)C(F)(F)F)C1(CC1)C#N

BDBM600689

FC(F)(F)COc1ccc(cn1)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600690

C[C@@H](Oc1ncc(cc1F)-c1cn2c(nnc2cn1)C(F)F)C(F)(F)F |r|

BDBM600691

C[C@H](Oc1ncc(cc1F)-c1ccc2nnc(n2n1)C(F)(F)F)C(F)(F)F |r|

BDBM600692

C[C@H](Oc1ncc(cc1F)-c1cn2c(nnc2cn1)C(F)(F)F)C(F)(F)F |r|

BDBM600693

C[C@@H](Oc1ncc(cc1F)-c1cn2c(nnc2cn1)C(F)(F)F)C(F)(F)F |r|

BDBM600694

COC(F)(F)c1nnc2ccc(nn12)-c1cnc(OCC(F)(F)F)c(F)c1

BDBM600695

Fc1cc(cnc1OCC(F)(F)F)-c1cn2c(nnc2cn1)C(F)(F)F

BDBM600696

FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(C[C@H]3CCCCO3)n2n1 |r|

BDBM600697

Fc1cc(cnc1OCC(F)(F)F)-c1ccc2nnc(n2n1)C(F)(F)F

BDBM600698

C[C@@H](Oc1ncc(cc1F)-c1ccc2nnc(n2n1)C(F)(F)F)C(F)(F)F |r|

BDBM600700

FC(F)(F)c1nnc2ccc(nn12)-c1ccc(OC2CC(F)(F)C2)nc1

BDBM600701

FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(C[C@@H]3CCCCO3)n2n1 |r|

BDBM600702

FC(F)(F)c1nnc2ccc(nn12)-c1ccc(OC2CC(F)(F)C2)cc1

BDBM600703

FC(F)c1nnc2cnc(cn12)-c1cnc(OCC(F)(F)F)c(F)c1

BDBM602181

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC[C@H](C1)B(O)O |r|

BDBM602182

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC=C(C1)B(O)O |r,c:43|

BDBM602185

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)B(O)O |r|

BDBM602186

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1B(O)O |r|

BDBM602188

COCCOCCNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CC[C@H](C1)B(O)O |r|

BDBM602189

CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C1)B(O)O |r,$;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|

BDBM608058

COCCN1C[C@@H](NC(=O)Nc2c(C)c(nn2-c2ccccc2)-c2cnc(nc2)C2(F)COC2)[C@@H](C1)n1ccc(F)c1

BDBM621066

Cc1cccc(n1)-n1nccc1-c1ccc2ccnn2c1

BDBM621068

Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1

BDBM621070

Cc1cccc(n1)-n1nccc1-c1ccc2[nH]ncc2c1

BDBM621072

Cc1cccc(n1)-n1nccc1-c1ccc2nnc(C(N)=O)n2c1

BDBM621073

Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1

BDBM621074

Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2n1

BDBM627524

CC1(CCCN1)c1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NOCc1c23

BDBM637668

CC3(O)CCC(NS(=O)(=O)c2ccc(c1ccc(F)cc1F)cc2)CC3

BDBM637669

C[C@@]3(O)CC[C@@H](NS(=O)(=O)c2ccc(c1ccc(Cl)cc1C#N)cc2)CC3

BDBM637670

CC3(O)CCC(NS(=O)(=O)c2ccc(c1ccc(C#N)cc1C#N)c(F)c2)CC3

BDBM637671

CC1(O)CCC(CC1)NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Cl)C#N

BDBM637672

CC3(O)CCC(NS(=O)(=O)c2ccc(c1cc(F)c(F)cc1F)cc2)CC3

BDBM637673

CC1(O)CCC(CC1)NS(=O)(=O)c1ccc(c(Cl)c1)-c1ccc(Cl)cc1C#N

BDBM637674

CC1(O)CCC(CC1)NS(=O)(=O)c1ccc(cc1)-c1ncc(Cl)cc1C#N

BDBM637675

CC1(O)CCC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2F)C#N)CC1 |(6.54,29.63,;7.31,28.3,;8.85,28.3,;8.08,26.97,;7.31,25.63,;5.78,25.63,;5,24.3,;3.47,24.3,;3.47,25.84,;3.47,22.76,;1.93,24.3,;1.15,22.97,;-.38,22.97,;-1.15,24.3,;-.38,25.63,;1.15,25.63,;-2.69,24.3,;-3.47,22.97,;-5,22.97,;-5.83,24.3,;-5,25.63,;-3.47,25.63,;-2.69,26.97,;-7.37,24.3,;-8.91,24.3,;5,26.97,;5.78,28.3,)|

BDBM637676

C[C@]1(O)CC[C@H](CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ccc(cc2F)C#N)CC1 |r,wU:5.5,1.0,wD:1.1,(6.54,20.4,;7.31,19.07,;8.85,19.07,;5.78,19.07,;5,17.73,;5.78,16.4,;5,15.07,;3.47,15.07,;3.47,16.61,;3.47,13.53,;1.93,15.07,;1.15,16.4,;-.38,16.4,;-1.15,15.07,;-.38,13.73,;1.18,13.68,;1.95,12.35,;2.72,11.02,;3.46,12.67,;.62,11.58,;-2.69,15.07,;-3.47,13.73,;-5,13.73,;-5.83,15.07,;-5,16.4,;-3.47,16.4,;-2.69,17.73,;-7.37,15.07,;-8.91,15.07,;7.31,16.4,;8.08,17.73,)|

BDBM637677

C[C@@]1(O)CC[C@H](CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ccc(cc2F)C#N)CC1 |r,wU:5.5,1.1,wD:1.0,(6.54,20.4,;7.31,19.07,;8.85,19.07,;5.78,19.07,;5,17.73,;5.78,16.4,;5,15.07,;3.47,15.07,;3.47,16.61,;3.47,13.53,;1.93,15.07,;1.15,16.4,;-.38,16.4,;-1.15,15.07,;-.38,13.73,;1.18,13.68,;1.95,12.35,;2.72,11.02,;3.46,12.67,;.62,11.58,;-2.69,15.07,;-3.47,13.73,;-5,13.73,;-5.83,15.07,;-5,16.4,;-3.47,16.4,;-2.69,17.73,;-7.37,15.07,;-8.91,15.07,;7.31,16.4,;8.08,17.73,)|

BDBM637678

CC1(O)CCC(CS(=O)(=O)c2ccc(c(F)c2)-c2ncc(F)cc2F)CC1 |(6.02,9.79,;6.79,8.46,;8.33,8.46,;7.56,7.12,;6.79,5.79,;5.25,5.79,;4.48,4.46,;2.94,4.46,;2.94,6,;2.94,2.92,;1.4,4.46,;.63,5.79,;-.91,5.79,;-1.68,4.46,;-.91,3.12,;-1.68,1.79,;.63,3.12,;-3.22,4.46,;-3.99,3.12,;-5.53,3.12,;-6.3,4.46,;-7.84,4.46,;-5.53,5.79,;-3.99,5.79,;-3.22,7.12,;4.48,7.12,;5.25,8.46,)|

BDBM637679

CC1(O)CCC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2Cl)C#N)CC1

BDBM637680

CC1(O)CCC(CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ccc(F)cc2F)CC1 |(6.02,19.24,;6.79,17.91,;8.33,17.91,;7.56,16.58,;6.79,15.24,;5.25,15.24,;4.48,13.91,;2.94,13.91,;2.94,15.45,;2.94,12.37,;1.4,13.91,;.63,15.24,;-.91,15.24,;-1.68,13.91,;-.91,12.58,;.65,12.53,;1.42,11.19,;2.19,9.86,;2.93,11.52,;.09,10.42,;-3.22,13.91,;-3.99,12.58,;-5.53,12.58,;-6.3,13.91,;-7.84,13.91,;-5.53,15.24,;-3.99,15.24,;-3.22,16.58,;4.48,16.58,;5.25,17.91,)|

BDBM637681

CC1(O)CCC(CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ncc(F)cc2F)CC1 |(6.02,8.79,;6.79,7.46,;8.33,7.46,;7.56,6.12,;6.79,4.79,;5.25,4.79,;4.48,3.45,;2.94,3.45,;2.94,4.99,;2.94,1.91,;1.4,3.45,;.63,4.79,;-.91,4.79,;-1.68,3.45,;-.91,2.12,;.65,2.07,;1.42,.74,;2.19,-.59,;2.93,1.06,;.09,-.03,;-3.22,3.45,;-3.99,2.12,;-5.53,2.12,;-6.3,3.45,;-7.84,3.45,;-5.53,4.79,;-3.99,4.79,;-3.22,6.12,;4.48,6.12,;5.25,7.46,)|

BDBM637682

CC1(O)CCC(CS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2Cl)CC1 |(5.46,-11.64,;6.23,-12.97,;7.77,-12.97,;7,-14.31,;6.23,-15.64,;4.69,-15.64,;3.92,-16.97,;2.38,-16.97,;2.38,-15.43,;2.38,-18.51,;.84,-16.97,;.07,-18.31,;-1.47,-18.31,;-2.24,-16.97,;-1.47,-15.64,;.07,-15.64,;-3.78,-16.97,;-4.55,-18.31,;-6.09,-18.31,;-6.86,-16.97,;-8.4,-16.97,;-6.09,-15.64,;-4.55,-15.64,;-3.78,-14.31,;3.92,-14.31,;4.69,-12.97,)|

BDBM639341

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1cncn1C)N1CCCC1=O |r|

BDBM639342

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|

BDBM639343

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CCCC1=O |r|

BDBM639346

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|

BDBM639347

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@H](O)C1=O |r|

BDBM639349

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c2ccc(s2)Cl)C(=O)OCCc3nccn3C)N4CC[C@@H](C4=O)O

BDBM660588

CC(C)(C)CN1C(CC(=O)c2c(O)cccc12)c1cccc(O)c1

BDBM50014323

c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2

BDBM50028111

N[Pt](N)(Cl)Cl

BDBM50172078

Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1

BDBM664674

COc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1

BDBM668000

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccco3)cn2)c(c1)C(F)(F)F

BDBM668001

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)cn1 |r|

BDBM668002

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccco2)cn1 |r|

BDBM668003

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccccn3)cn2)c(c1)C(F)(F)F

BDBM668004

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2noc(c2C)-c2ccccn2)cn1 |r|

BDBM668005

CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cnc(s2)-c2ccccn2)cn1

BDBM668006

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2cnccn2)cn1 |r|

BDBM668007

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(no2)-c2ccccn2)cn1 |r|

BDBM668008

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3cnccn3)cn2)c(c1)C(F)(F)F

BDBM668009

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cn(nn2)-c2ccccn2)cn1 |r|

BDBM668010

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)cn1 |r|

BDBM668011

FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ncccn3)cn2)c(c1)C(F)(F)F

BDBM668012

CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1

BDBM668013

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1 |r|

BDBM668014

Cc1c(NC(=O)c2cc(on2)-c2ccco2)cnn1Cc1ccc(cc1C(F)(F)F)C(F)(F)F

BDBM668015

C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)c(C)n1 |r|

BDBM668016

CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)c(C)n1

BDBM668457

C[C@@H](Nc1ncc(cn1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O)c1ccc(cc1F)C(F)(F)F |r|

BDBM674471

OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3ccccc3)ccc2c1O

BDBM674473

OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3ccccc3)ccc2c1O

BDBM674474

OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3ccccc3Cl)ccc2c1O

BDBM674475

OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3ccccc3Cl)ccc2c1O

BDBM674477

OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3cccc(Cl)c3)ccc2c1O

BDBM674478

OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3cccc(Cl)c3)ccc2c1O

BDBM674479

OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3ccc(Cl)cc3)ccc2c1O

BDBM674480

OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3ccc(Cl)cc3)ccc2c1O

BDBM675362

CC[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675371

CC[C@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675451

NCC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675452

C[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675453

CC(C)[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675454

CC(C)C[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675455

NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1CCCN1 |r|

BDBM675456

NCCC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675461

N[C@H]1CCC[C@H]1C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675462

NCC1(CCC1)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|

BDBM675463

NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1CNC1 |r|

BDBM675464

NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(N)COC1 |r|

BDBM675465

NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCN1 |r|

BDBM675466

NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCNC1 |r|

BDBM675470

NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C12C[C@H]1CNC2 |r|

BDBM675472

CC[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|

BDBM675473

CC[C@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|

BDBM675485

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1CCCN1)C(N)=O |r|

BDBM675486

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)CCN)C(N)=O |r|

BDBM675487

CC(C)(C)[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|

BDBM675488

CC(C)(C)[C@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|

BDBM675491

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1CCC[C@@H]1N)C(N)=O |r|

BDBM675492

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(CN)CCC1)C(N)=O |r|

BDBM675493

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1CNC1)C(N)=O |r|

BDBM675494

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(N)COC1)C(N)=O |r|

BDBM675496

NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCNC1)C(N)=O |r|

BDBM675511

N[C@H]1CCC[C@H]1C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM675512

NCC1(CCC1)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM675516

NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCNC1 |r|

BDBM675517

NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CNCCO1 |r|

BDBM675520

NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@]12C[C@H]1CNC2 |r|

BDBM682656

C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F

BDBM682653

C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F

BDBM682654

C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F |r|

BDBM682655

C[C@@H]1Cc2c([nH]c3cc(ccc23)C#C)[C@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F |r|

BDBM118454

Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1

BDBM682903

Cc1cc(nc(c1)C(C)(C)O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(F)cccc1-n1nccn1 |r|

BDBM682904

CC(C)(O)c1nc(ncc1F)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(F)cccc1-c1ncccn1 |r|

BDBM682905

Cc1nc(nc(c1F)C(C)(C)O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1cccc(F)c1-n1nccn1 |r|

BDBM684560

Cc1cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1

BDBM684606

COc1nccc(C2CC2)c1-c1ncc2N(C)C(=O)CN(Cc3ccc(cc3)-c3nc(cn3C)C(F)(F)F)c2n1

BDBM684661

COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(cc1)-n1nc(cc1C)C(F)(F)F)C(=O)OC2(C)C

BDBM685119

Cc1cc(NC(=O)c2noc(=O)[nH]2)cc(C)c1Cc1ccc(O)c2CCCCc12

BDBM685120

OC(=O)c1ccc(cc1O)-c1sc(C#N)c2CCC(F)(F)Cc12

BDBM677015

CCOc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(CCNC(=O)c4[nH]nnc4OC)c3=O)-c2cc1OC

BDBM677016

CCOc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(CCNC(=O)c4c(O)nnn4C)c3=O)-c2cc1OC

BDBM700728

CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n1C)C(F)(F)F

BDBM700732

Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n(C)c1C(=O)C(=O)NC1(COC1)C(F)(F)F

BDBM707299

CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1

BDBM707300

CC(=O)N3CCC(CS(=O)(=O)c2ccc(c1ccc(C#N)cc1Cl)cc2)CC3

BDBM707301

CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3C#N)cc2)CC1

BDBM707302

CC(=O)N3CCC(CS(=O)(=O)c2ccc(c1ccc(C(F)(F)F)cc1F)cc2)CC3

BDBM707303

CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3c(F)cccc3F)cc2)CC1

BDBM707304

CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2C(F)(F)F)CC1

BDBM707305

CCC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1

BDBM707647

CCCCC1=N[C@@]2(CC3C[C@H]3C2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1

BDBM707713

CCCCC1=N[C@@]2(CC3C[C@H]3C2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(COCC)c1

BDBM50175523

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C |t:4|

BDBM717811

O=C(Cc1ccccc1)c1ccn(C(=O)c2ccccc2F)c1

BDBM717812

O=C(Cc1ccccc1)c1ccn(Cc2c(F)cccc2F)c1

BDBM717823

O=C(Cc1ccncc1)c1ccn(C(=O)c2ccccc2F)c1

BDBM717824

O=C(c1cccnc1)c1ccn(C(=O)c2ccccc2F)c1

BDBM717825

CC(C)(CO)[C@@H](O)C(=O)n1ccc(C(=O)N2CCCC2)c1

BDBM717826

O=C(NC1CCOCC1)c1ccn(Cc2c(F)cccc2F)c1

BDBM717827

O=C(NC1CCCCC1)c1ccn(Cc2c(F)cccc2F)c1

BDBM717828

CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(Cc3c(F)cccc3F)c2)C1

BDBM717829

O=C(c1cncc(F)c1)c1ccn(Cc2ccccc2F)c1

BDBM717830

O=C(c1cccnc1)c1ccn(C(=O)c2ccccc2F)c1

BDBM717831

Cn1c(C(=O)Cc2ccncc2)ccc1C(=O)c1ccccc1F

BDBM717832

Cn1c(Cc2c(F)cccc2F)ccc1C(=O)Cc1ccccc1

BDBM717833

Cn1c(Cc2c(F)cccc2F)ccc1C(=O)C(Cc1c(F)cccc1F)c1ccccc1

BDBM724725

Cc1[nH]c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)c(C)c1C(=O)NC2=CC(C#N)C(F)C=C2

BDBM743436

COC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)c(F)c3)cn12

BDBM743437

FC(F)(F)c1nnc2ccc(-c3ccc([C@@H]4CC4(F)F)cc3)nn12

BDBM743438

COC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)nn12

BDBM743441

FC(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12

BDBM743442

FC(F)(F)Oc1ccc(-c2cn3c(C4(F)CC4)nnc3cn2)cc1

BDBM743443

FC(F)(F)Oc1ccc(-c2ccc3nnc([C@@H]4CC4(F)F)n3n2)cc1

BDBM743446

COCc1cc(C(F)(F)F)ccc1-c1cn2c(C(F)(F)F)nnc2cn1

BDBM743454

Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1

BDBM743459

Cc1cc(C2(C#N)CC2)ccc1-c1ccc2nnc(C(F)(F)F)n2n1

BDBM743467

FC(F)(F)Oc1ccc(-c2ccc3nnc(C[C@@H]4CCCCO4)n3n2)cc1

BDBM743468

Fc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)cnc1OCC(F)(F)F

BDBM743472

FC(F)(F)Oc1ccc(-c2ccc3nnc(C[C@@H]4CCCCO4)n3n2)cc1

BDBM700731

Cc2c(C(=O)Nc1ccc(F)c(C#N)c1)c(C)n(C)c2C(=O)C(=O)NC(C)C(F)(F)F

BDBM50239117

Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|

BDBM50239231

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1

BDBM50239606

OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|

BDBM50239717

CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12

BDBM50239718

CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F

BDBM50239781

COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12

BDBM294045

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](F)(Cl)[C@@H]1O)Oc1ccccc1 |r|

BDBM50239940

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)Oc3ccccc3

BDBM50240237

Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NC[C@H]3NCCC=C3c3ccc(F)cc3)cc2F)s1 |r,c:20|

BDBM50240239

Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nc(Cl)cs1 |r,t:8|

BDBM50240240

Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8|

BDBM199186

COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC

BDBM199190

COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC

BDBM199201

Clc1ccc2c(NCc3ccccn3)c3CCCCc3nc2c1

BDBM8961

c1ccc2c(c1)c(c3c(n2)CCCC3)N

BDBM199197

COc1ccc(CCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC

BDBM50240469

[H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|

BDBM50233461

COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1

BDBM50240573

COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r|

BDBM50240575

COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F

BDBM50240713

Cn1c(nc2ccc(\C=C\C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12)C1(CCC1)NC(=O)c1ccc2c(C3CCCC3)c(-c3ncc(Br)cn3)n(C)c2c1 |r|

BDBM50244440

C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8

BDBM50245571

C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|

BDBM50246760

CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1

BDBM50246769

c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5

BDBM50246967

CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC

BDBM50247168

CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12

BDBM50247595

Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

BDBM50247641

OC12CC3CC(C1)CC(C3)(C2)NCc1cc(on1)C1CC1 |TLB:11:8:2.1.6:4,THB:10:1:4:9.8.7,10:8:2.1.6:4,0:1:4:9.8.7,7:8:2:6.5.4,7:5:2:9.10.8,11:8:2:6.5.4|

BDBM50247653

CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|

BDBM50249434

Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnc(F)c3)c(N)c2c1C

BDBM50249405

Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccc(F)nc3)c(N)c2c1C

BDBM50249403

Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C

BDBM50249435

Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C

BDBM50249652

Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1

BDBM50250939

COCCCc1ccc2oc(cc2c1)-c1ccc(OC)c(OC)c1

BDBM254320

C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|

BDBM254326

C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|

BDBM50251202

[H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|

BDBM50108052

COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1

BDBM50061117

CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1

BDBM50252406

N#C[Se]Cc1ccccc1

BDBM50252407

N#C[Se]Cc1ccccc1C[Se]C#N

BDBM50252421

N#C[Se]Cc1ccc(C[Se]C#N)cc1

BDBM11318

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O

BDBM50252424

Cc1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1N

BDBM50252425

Oc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1

BDBM7461

c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

BDBM50325672

COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

BDBM9019

CC(=O)NCCc1c[nH]c2c1cc(cc2)OC

BDBM50252408

N#C[Se]Cc1cccc(C[Se]C#N)c1

BDBM50253091

Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C

BDBM50253092

Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C

BDBM50242173

c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2

BDBM107244

Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1

BDBM50442525

Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1

BDBM50257062

Cc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1

BDBM50257044

CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1

BDBM50257045

Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cccc(F)n1

BDBM50257041

Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1

BDBM50257064

Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1

BDBM50257059

Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1

BDBM50257079

Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(Cl)cn1

BDBM50257060

Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cc(F)ccn1

BDBM50257043

Cc1cc(Oc2cnc(C)nc2)cc(n1)C(=O)Nc1ccc(F)cn1

BDBM50257080

Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1

BDBM50257058

Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1

BDBM50257061

Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cc(F)ccn1

BDBM50257063

Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1

BDBM50257128

O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7|

BDBM50258216

[H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|

BDBM50261325

Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1

BDBM50261310

Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cccc(F)c1

BDBM50261324

Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1

BDBM50261323

Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cc(F)cc(Cl)c1

BDBM50262492

CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1

BDBM50262573

Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1

BDBM50262574

Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3ncnc23)nc1

BDBM50262575

Fc1ccc(NC(=O)c2cc(Oc3cnc(F)c(F)c3)cn3ncnc23)nc1

BDBM50262576

Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1

BDBM50262608

Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1

BDBM50262577

COc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1

BDBM50262570

Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1

BDBM50262571

Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1

BDBM50262633

Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1

BDBM50262623

Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1

BDBM50262572

Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1

BDBM50263013

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|

BDBM50265673

Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|

BDBM50266786

NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1

BDBM254258

C[C@H]1N(CCc2c1nnn2-c1cc(F)ccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM254189

C[C@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM254203

C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM254332

C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM254266

C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM50269366

COc1cc(\C=C\C(=O)c2ccc[nH]2)cc(OC)c1OC

BDBM50269370

CN(C)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1

BDBM50269371

COc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1

BDBM50269354

Clc1ccccc1\C=C\C(=O)c1ccc[nH]1

BDBM50269363

Brc1cccc(\C=C\C(=O)c2ccc[nH]2)c1

BDBM50269364

COc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br

BDBM50269365

CCc1ccc(\C=C\C(=O)c2ccc[nH]2)o1

BDBM50269355

FC(F)(F)Oc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1

BDBM50269362

O=C(\C=C\c1c2ccccc2cc2ccccc12)c1ccc[nH]1

BDBM50134181

Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1

BDBM50269367

Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1

BDBM50269361

OC(=O)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1

BDBM49471

COc1cccc(\C=C\C(=O)c2ccc[nH]2)c1

BDBM50269356

COc1cccc(OC)c1\C=C\C(=O)c1ccc[nH]1

BDBM50269360

[O-][N+](=O)c1ccc(Cl)c(\C=C\C(=O)c2ccc[nH]2)c1

BDBM50269368

COc1cccc(\C=C\C(=O)c2ccc[nH]2)c1OC

BDBM55663

O=C(\C=C\c1ccc2OCOc2c1)c1ccc[nH]1

BDBM50269352

COc1ccc(\C=C\C(=O)c2ccc[nH]2)c(OC)c1

BDBM50269372

O=C(\C=C\C=C\c1ccccc1)c1ccc[nH]1

BDBM50269353

COc1ccccc1\C=C\C(=O)c1ccc[nH]1

BDBM50269369

COc1cc(OC)cc(\C=C\C(=O)c2ccc[nH]2)c1

BDBM50269373

Fc1ccccc1\C=C\C(=O)c1ccc[nH]1

BDBM50269374

COc1ccc(\C=C\C=C\C(=O)c2ccc[nH]2)cc1

BDBM50269428

COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269430

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1C#N |r|

BDBM50269431

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N |r|

BDBM50269413

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(cc1)C#N |r|

BDBM50269416

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccnc1 |r|

BDBM50269417

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccn1 |r|

BDBM50269409

CC(C)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269427

C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269426

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1 |r|

BDBM50269442

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)C(=O)c1ccccc1 |r|

BDBM50269433

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(=O)(=O)c1ccc(C)cc1 |r|

BDBM50269437

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r|

BDBM50269443

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r|

BDBM50269438

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r|

BDBM50269439

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r|

BDBM50269440

COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269429

COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269415

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1 |r|

BDBM50269422

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cncnc1 |r|

BDBM50269455

COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269447

COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269471

COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269460

COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269465

COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269847

CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1

BDBM309529

Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1

BDBM312064

O=C1C[C@@H](C(=O)N1)c1c[nH]c2ccccc12 |r|

BDBM50270669

CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(on1)-c1ccccc1F |r|

BDBM50270668

CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(on1)-c1ccccc1F |r|

BDBM50272089

Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O

BDBM50272591

C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O

BDBM50273916

CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O

BDBM50273688

C(N1CCOCC1)c1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 |TLB:32:31:27.26.25:29,THB:32:26:29:21.30.31,27:26:21:28.29.30,27:28:21:26.25.32,(41.94,-38.08,;42.71,-39.42,;41.93,-40.75,;42.69,-42.09,;44.24,-42.1,;45.02,-40.76,;44.25,-39.41,;40.39,-38.08,;39.61,-39.42,;38.07,-39.41,;37.31,-38.07,;38.08,-36.74,;39.62,-36.74,;35.77,-38.06,;34.99,-39.39,;33.46,-39.39,;32.69,-38.05,;33.46,-36.72,;35,-36.73,;31.92,-39.38,;30.39,-39.38,;29.63,-38.04,;30.39,-36.71,;31.93,-36.72,;28.73,-39.28,;27.39,-38.74,;26.6,-37.56,;24.87,-37.89,;26.34,-38.44,;27.15,-39.72,;27.26,-37.14,;28.84,-36.75,;27.46,-36.35,)|

BDBM50273812

Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|

BDBM200332

Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cc1)-n1nnc2cccnc12 |r|

BDBM50275434

Cc1cncc(n1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|

BDBM50276098

COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O)N1CCN(C)CC1

BDBM50276927

Cc1cccc2c(Nc3cccc(c3)-c3nc4c(cccc4[nH]3)C(N)=O)c3ccccc3nc12

BDBM50276954

CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC2COC2)c2cnccc12

BDBM50278632

CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1

BDBM50278662

C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r|

BDBM50280423

C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|

BDBM50280783

CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r|

BDBM50236759

COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12

BDBM50283479

COc1ccc(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F

BDBM50283483

COc1ccc(cc1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F

BDBM50283472

COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|

BDBM50283489

COc1cc(F)c(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1 |(75.94,-28.33,;76.96,-27.18,;76.48,-25.72,;74.97,-25.41,;74.49,-23.95,;72.98,-23.63,;75.51,-22.79,;75.03,-21.33,;75.93,-20.09,;77.47,-20.08,;75.01,-18.86,;73.56,-19.33,;72.23,-18.56,;70.9,-19.33,;70.9,-20.87,;69.56,-21.65,;72.23,-21.64,;73.57,-20.87,;72.23,-17.02,;73.56,-16.25,;70.89,-16.25,;72.21,-15.48,;77.01,-23.11,;78.04,-21.95,;77.51,-24.56,)|

BDBM50283490

COc1cc(F)c(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F |(24.3,-44,;25.32,-42.84,;24.84,-41.38,;25.87,-40.23,;25.37,-38.77,;26.4,-37.61,;23.87,-38.46,;22.85,-39.61,;23.33,-41.07,;22.3,-42.22,;23.39,-36.99,;24.29,-35.75,;25.83,-35.74,;23.38,-34.52,;21.92,-35,;20.59,-34.22,;19.26,-35,;19.26,-36.54,;17.92,-37.31,;20.59,-37.3,;21.93,-36.53,;20.59,-32.68,;21.92,-31.91,;19.25,-31.91,;20.57,-31.14,)|

BDBM50285941

[H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CO)C(C)(C)C |r|

BDBM50286071

OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12

BDBM50287310

OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|

BDBM50288738

Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N[C@H]2CCOC2)ccc1F |r|

BDBM50316148

CCC(CC)n1c2c(ncc(n2)C#C)nc1O

Nc1oncc1-n1cccn1

Nc1oncc1-c1ccsc1

Nc1oncc1-c1ccccc1

Nc1oncc1-n1cc(F)cn1

Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|

BDBM50341416

CNc1nc(C)c2cc(cc(O[C@@H]3CCOC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 |r|

BDBM50341410

COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2nc(N)nc(C)c2c1

BDBM50341408

CNc1nc(C)c2cc(cc(OC3CCOCC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1

BDBM50341409

COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2nc(N)nc(C)c2c1 |r|

BDBM50366335

NCc1ccc(o1)-c1cnccc1-c1cccnc1

BDBM50366336

NCc1ccc(s1)-c1cnccc1-c1cncnc1

BDBM50366339

NCC#Cc1cnccc1-c1ccncc1

BDBM50366410

NCC#Cc1cnccc1-c1ccco1

BDBM50366405

CCc1ccncc1C#CCN

BDBM50366394

NCc1ccc(o1)-c1cnccc1-c1ccccc1

BDBM50366409

NCc1ccc(o1)-c1cnccc1-c1cncnc1

BDBM50366395

NCc1ccc(s1)-c1cnccc1-c1ccccc1

BDBM50366406

NCC#Cc1cnccc1-c1ccoc1

BDBM50366399

NCc1ccc(s1)-c1cnccc1-c1ccco1

BDBM50366404

COc1ccncc1-c1ccc(CN)o1

BDBM50366435

NCc1ccc(o1)-c1cnccc1-c1ccco1

BDBM50366407

NCc1ccc(o1)-c1cnccc1-c1ccoc1

BDBM50366408

NCc1ccc(o1)-c1cnccc1-c1ccncc1

BDBM50366426

CCc1ccncc1-c1ccc(CN)s1

BDBM50366402

COc1ccncc1-c1ccc(CN)s1

BDBM50366379

CCCc1ccncc1-c1ccc(CN)s1

BDBM50366411

NCc1ccc(s1)-c1cnccc1-c1ccoc1

BDBM50366414

NCc1ccc(s1)-c1cnccc1-c1ccncc1

BDBM50366392

Cc1ccncc1-c1ccc(CN)o1

BDBM50366412

NCC#Cc1cnccc1-c1cncnc1

BDBM50366397

NCC#Cc1cnccc1-c1cccnc1

CCCc1ccncc1C#CCN

COc1ccncc1C#CCN

Cc1ccncc1C#CCN

NCC#Cc1cccnc1

CCc1ccncc1-c1ccc(CN)o1

BDBM50366398

NCC#Cc1cnccc1-c1ccccc1

BDBM50366393

Cc1ccncc1-c1ccc(CN)s1

BDBM50366403

NCc1ccc(s1)-c1cnccc1-c1cccnc1

BDBM50366396

Cc1ccc(cn1)C#CCN

BDBM50366401

CCCc1ccncc1-c1ccc(CN)o1

BDBM245474

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM50449495

c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3

BDBM282572

c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O

BDBM373008

CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N

BDBM50247812

CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,16|

BDBM50451447

FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1

BDBM50240238

N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1 |r,c:4|

BDBM50451564

CCN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1

BDBM50451567

N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1

BDBM50451565

N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1

BDBM50451568

N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1

BDBM50451562

N[C@@H]1CCC=C([C@H]1CSc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1

BDBM50451566

CCN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1

BDBM50451563

CCN[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1

BDBM50452245

c1cc(ccc1CC(=O)Nc2ccn(n2)Cc3ccc(cn3)C#N)C4(CC4)C(F)(F)F

BDBM50452362

COc1ccccc1\C=C\C(=O)c1ccncc1

BDBM50452354

O=C(\C=C\c1ccc2OCOc2c1)c1ccncc1

BDBM50452364

COc1ccc(\C=C\C(=O)c2ccncc2)cc1

BDBM50452360

COc1ccc(\C=C\C(=O)c2ccncc2)cc1OC

BDBM50452355

COc1ccc(\C=C\C(=O)c2ccncc2)c(OC)c1OC

BDBM50452361

COc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC

BDBM50452363

COc1cccc(\C=C\C(=O)c2ccncc2)c1

BDBM50452356

COc1cc(OC)cc(\C=C\C(=O)c2ccncc2)c1

BDBM50452358

CCOc1c(OC)cc(\C=C\C(=O)c2ccncc2)cc1OC

BDBM50452365

CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OCC)c1OCC

BDBM50452357

CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OCC

BDBM42528

O=C(\C=C\c1cccc2ccccc12)c1ccncc1

BDBM50452359

CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC

BDBM292485

CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)-c1cnn2ccc(nc12)-c1cccs1)N1CC(C1)OC |r|

BDBM50453433

CC(C)(C)Cn1ncn(-c2ccc(nc2)C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)c1=O

BDBM50453434

OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1

BDBM50453431

OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-n1cnn(C2CCCC2)c1=O

BDBM50453432

OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-n1cnn(C2CCCCC2)c1=O

BDBM7460

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

BDBM50453918

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-1

BDBM50454190

CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1

BDBM50120065

CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1

BDBM50454636

CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12

BDBM50454639

CCCCNc1nc(N)nc2cccc(OCc3ccccc3OC)c12

BDBM50454637

CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12

BDBM50454646

CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12

BDBM50454642

CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12

BDBM50454643

CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12

BDBM50454644

CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r|

BDBM50454647

CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12

BDBM50454640

CCCCNc1nc(N)nc2cccc(OCc3ccccn3)c12

BDBM50454638

CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r|

BDBM50454641

CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12

BDBM50454648

CCCCNc1nc(N)nc2cccc(C(=O)NC)c12

BDBM50455099

Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1cccc(OC2CC2)c1

BDBM50455101

Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1ccsc1

BDBM50455100

Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1cccc(c1)S(=O)(=O)C1CC1

BDBM50455359

CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)cc1 |r,wU:18.18,15.14,(64.45,-53.91,;64.45,-55.45,;63.12,-56.22,;65.78,-56.22,;65.78,-57.76,;67.12,-55.45,;68.45,-56.22,;69.79,-55.45,;69.78,-53.9,;71.11,-53.13,;72.45,-53.89,;73.78,-53.12,;75.12,-53.88,;76.45,-53.11,;77.79,-53.87,;79.12,-53.1,;79.1,-51.56,;80.44,-50.78,;81.79,-51.55,;81.71,-50.02,;83.14,-49.47,;84.11,-50.66,;85.44,-49.88,;85.45,-51.42,;83.28,-51.95,;81.77,-53.09,;80.45,-53.86,;68.45,-53.14,;67.12,-53.91,)|

BDBM50457086

COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2nccs2)CC1

BDBM50457518

Cc1csc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)n1

BDBM50457586

C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N

BDBM50457687

CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F

BDBM50457685

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r|

BDBM50457688

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F |r|

BDBM50457693

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r|

BDBM50457713

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F |r|

BDBM50457706

CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O

BDBM50457711

CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F

BDBM50457695

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O

BDBM50457703

CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1

BDBM50457704

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O

BDBM50457714

CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 |r|

BDBM50457689

CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r|

BDBM50457709

CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1 |r|

BDBM50457697

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N)C(F)(F)F |r|

BDBM50457708

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)C#N

BDBM50457701

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N

BDBM50457700

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1OCC1CC1)C#N

BDBM50457686

Fc1cccc(c1)-c1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N

BDBM50457712

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F |r|

BDBM50457707

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)C#N)C(F)(F)F |r|

BDBM50457694

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N

BDBM50457699

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)C#N)C(F)(F)F |r|

BDBM50457710

CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1

BDBM50457692

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|

BDBM50457698

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O

BDBM50457702

CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F

BDBM50457691

CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|

BDBM50457690

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N)C(F)(F)F |r|

BDBM50457696

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N

BDBM50457705

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N

BDBM45440

c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

BDBM50089916

[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1

BDBM50457967

[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 |r,wU:62.64,57.58,10.10,32.33,1.0,5.5,wD:3.3,12.12,14.15,60.61,51.52,54.55,49.50,42.43,34.35,45.46,8.8,36.37,30.31,t:17,19,21,23,27,29,(-9.21,4.62,;-9.51,3.64,;-8.06,4.03,;-7.11,2.79,;-6.63,1.32,;-5.12,1,;-4.49,.19,;-6.09,2.18,;-5.52,3.61,;-6.28,4.58,;-3.99,3.82,;-3.61,4.78,;-3.04,2.61,;-1.82,2.79,;-3.61,1.18,;-2.86,.2,;-5.59,3.01,;-4.6,1.87,;-3.07,2.09,;-2.12,1,;-.68,1.25,;.41,.08,;1.8,.35,;2.79,-.78,;4.26,-.58,;7.2,-.01,;6.73,-1.44,;7.74,-2.62,;7.26,-4.01,;9.36,-5.18,;8.86,-7.52,;9.7,-8.43,;7.25,-7.74,;6.8,-8.88,;6.25,-6.52,;6.71,-5.37,;4.67,-6.71,;4.24,-7.86,;3.59,-5.49,;2.05,-5.69,;1.63,-6.85,;.98,-4.53,;-.55,-4.69,;-1.01,-5.83,;-1.54,-3.51,;-3.06,-3.7,;-3.5,-4.85,;-4.14,-2.5,;-5.71,-2.68,;-6.76,-1.49,;-6.32,-.34,;-8.34,-1.66,;-8.79,-2.8,;-9.38,-.46,;-10.97,-.66,;-11.4,-1.81,;-12.06,.58,;-11.58,1.99,;-12.79,1.76,;-12.54,3.11,;-12.01,4.55,;-12.8,5.49,;-10.52,4.8,;-9.54,6,;-9.98,7.15,;-8.33,5.8,;-10.07,2.21,)|

BDBM50034220

CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C

BDBM50458024

CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1

BDBM50458617

CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O

BDBM50458749

C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|

BDBM50459004

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r|

BDBM50459003

CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r|

BDBM50459162

COCCNc1cc(O)c2c(c1)oc1c(Cc3ccc4OCOc4c3)[nH]c(-c3nccs3)c1c2=O

BDBM50459192

COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1

BDBM50459193

COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1

BDBM50459195

COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1

BDBM50459194

COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1

BDBM50460305

CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)N4CCCC4)c(F)c3)C2)CC1

BDBM50461454

CCOc1c2C(=O)N(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(O)=O)cc1

BDBM50461934

CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1noc2c1ccc1ccccc21 |r|

BDBM50461935

CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1noc-2c1CCc1ccccc-21 |r|

BDBM50462051

C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)nc1 |r|

BDBM50462057

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2C(F)(F)F)C(C)C)nc1 |r|

BDBM50462049

CCOc1nc2ccc(Oc3ccc(\C=C\[C@H](C)NC(C)=O)cn3)c(Cl)c2s1 |r|

BDBM50462052

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2Cl)C(C)(C)O)nc1 |r|

BDBM50462066

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2cc3sc(C)nc3cc2Cl)nc1 |r|

BDBM50462056

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(C)sc3c2Cl)nc1 |r|

BDBM50462059

CCOc1ccc(Oc2ccc(\C=C\[C@H](C)NC(C)=O)cn2)c(Cl)c1 |r|

BDBM50462067

C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)cn1 |r|

BDBM50462068

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCC3CC3)cc2Cl)nc1 |r|

BDBM50462053

C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |r|

BDBM50462063

C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2)s1 |r|

BDBM50462055

CCOc1ccc(Oc2ncc(\C=C\[C@H](C)NC(C)=O)s2)cc1 |r|

BDBM50462064

COC(=O)N[C@@H](C)\C=C\c1cnc(Oc2ccc(OC(C)C)cc2)s1 |r|

BDBM50462060

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r|

BDBM50462070

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCC(F)F)cc2Cl)nc1 |r|

BDBM50462061

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3sc(nc3c2Cl)C(C)C)nc1 |r|

BDBM50462065

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCC3CC3)cc2Cl)nn1 |r|

BDBM50462054

C[C@H](NC(C)=O)\C=C\c1nnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |r|

BDBM50462062

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2Cl)C(C)C)nc1 |r|

BDBM50462069

C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCCF)cc2Cl)nc1 |r|

BDBM50462058

C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)n1C |r|

BDBM50462050

CC(C)Oc1ccc(Oc2ncc(\C=C\[C@H](C)NC(C)=O)s2)cc1 |r|

BDBM50462158

O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|

BDBM50462156

O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|

BDBM186216

Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

BDBM50462745

Cc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50462749

Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4ncccc34)cc12

BDBM50462750

Cn1ncc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50462741

Cn1ncc2ccc(Nc3n[nH]c4cccnc34)cc12

BDBM50462746

Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc12

BDBM50462753

Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4nccnc34)cc12

BDBM50462763

C1CC1c1n[nH]c2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50030765

CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O

BDBM50464141

[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|

BDBM50464149

[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|

BDBM50464142

[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|

BDBM50464140

Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C

BDBM50464136

Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C

BDBM50464556

CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1

BDBM268423

CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1 |TLB:22:13:20:16.18.17,16:17:21:15.20.14,THB:22:17:20:21.13.14,16:15:21:22.18.17,12:13:20:16.18.17|

BDBM268527

CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1

BDBM268418

O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 |TLB:21:12:19:15.17.16,11:12:19:15.17.16,THB:17:18:13:15.16.21,17:16:13:19.18.20,21:16:19:12.13.20|

BDBM50466088

OCC1CCCC(CC1)c1ccc(O)cc1

BDBM50466485

CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|

BDBM371190

Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1

BDBM371198

Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1

BDBM50467031

CCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1 |r|

BDBM50467582

CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1

BDBM50468002

CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r|

BDBM50468003

C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|

BDBM50427326

C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|

BDBM60432

C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r|

BDBM103467

CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r|

BDBM50468184

CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(n1)C(F)F

BDBM50468183

[2H]C([2H])([2H])Oc1ccc(nc1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1

BDBM208326

FC(F)(F)c1ccc(\C=C\c2cc(=O)[nH]c3ccc(cc23)C(c2nccs2)c2ccc(Cl)cc2)cc1

BDBM208271

FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

BDBM208270

FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1nccs1)c1ccc(Cl)cc1

BDBM50501820

COc1ccc(cc1)-c1nc(C)nn1-c1cccc(c1)C(=O)NCCCCc1ccccc1

BDBM50501822

COc1ccc(cc1)-n1nc(C)nc1-c1cccc(c1)C(=O)NCCCCc1ccccc1

BDBM50501821

CCc1nc(-c2ncc(OC)cn2)n(n1)-c1cccc(c1)C(=O)NCCCCc1ccccc1

BDBM50501823

COc1ccccc1N1C(SCC1=O)c1cccc(c1)C(=O)NCCc1ccc(Br)cc1

BDBM50225316

CN(C)C(=O)C1CCN(CC1)c1nc2sc(cc2s1)C(=O)Nc1ccc2oc(C)nc2c1

BDBM50226767

Fc1ccc(nc1)-c1ccc(NC(=O)c2cc3sc(NCCN4CCOCC4)nc3s2)cc1

BDBM50499311

CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|

BDBM50499310

CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|

BDBM25761

CC(C)NC[C@@H](COc1cccc2c1cccc2)O

BDBM50140258

Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1

BDBM50499992

[O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14|

BDBM50499994

Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F

BDBM50499991

[O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F

BDBM50499995

Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15|

BDBM50499993

COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F

BDBM50500914

CN(C)C(=O)c1cc(CN2CCOc3c(F)cccc23)c2oc(cc(=O)c2c1)N1CCOCC1

BDBM50500949

O=C(Nc1nc(cs1)C#N)C1c2ccccc2Oc2ccccc12

BDBM50500951

CC(C)c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1

BDBM50258140

FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1

BDBM50501609

Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1

BDBM50502539

Cc1cc(Cc2cc(on2)-c2ccc(Br)cc2)cc(C)c1OC(C)(C)C(O)=O

BDBM50503110

CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F

BDBM50503163

FC(F)(F)c1cccc2n(CC3CC3)nnc12

BDBM50503164

Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc23)cn1

BDBM180052

FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F

BDBM50503360

Cc1noc2c(F)cc(Nc3n[nH]c4cccnc34)cc12

BDBM361373

FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

BDBM50503363

CCC(CC)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503364

Cc1noc2ccc(Nc3n[nH]c4cccnc34)cc12

BDBM50503365

Cc1noc2ccc(Nc3n[nH]c4cc(F)cnc34)cc12

BDBM50503361

Cc1noc2ccc(Nc3n[nH]c4nccnc34)cc12

BDBM50503366

CC(F)(F)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503356

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4cccnc34)cnc12

BDBM361378

C1CC1c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM361379

C1CC1c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12

BDBM361347

FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM361348

FC1(F)CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM361392

FC1(F)CCN(Cc2nsc3cc(Nc4n[nH]c5cccnc45)cnc23)CC1

BDBM50503368

Cc1noc2ccc(Nc3n[nH]c4ncc(F)cc34)cc12

BDBM50503369

C1CCC(C1)c1noc2cc(Nc3n[nH]c4nccnc34)ccc12

BDBM50503373

CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503380

C1CC(C1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503362

CC(C)(C)Cc1noc2cc(Nc3n[nH]c4nccnc34)ccc12

BDBM50503367

Cc1noc2ccc(Nc3n[nH]c4ncccc34)cc12

BDBM50503375

CC(C)(C)Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503357

Cc1noc2c(F)cc(Nc3n[nH]c4ncccc34)cc12

BDBM50503370

C1CCC(C1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503359

CC(C)(C)Cc1nsc2cc(Nc3n[nH]c4nccnc34)cnc12

BDBM361377

CC(=O)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50503761

[N-]=[N+]=Nc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50503764

[N-]=[N+]=N[C@H]1CC[C@@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:6.9,wD:3.2,(42.94,-24.76,;41.62,-23.99,;40.29,-23.21,;38.95,-23.97,;37.62,-23.19,;36.28,-23.95,;36.28,-25.49,;37.6,-26.26,;38.93,-25.51,;34.94,-26.25,;34.94,-27.8,;33.6,-28.57,;33.59,-30.11,;32.26,-27.79,;30.93,-28.57,;29.6,-27.8,;29.6,-26.25,;28.27,-25.5,;28.26,-23.97,;29.59,-23.19,;30.92,-23.95,;30.93,-25.48,;32.27,-26.25,;33.6,-25.47,)|

BDBM50503774

c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-]

BDBM50503771

S[C@H]1CC[C@@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:4.7,wD:1.0,(37.21,-3.23,;35.87,-3.99,;34.54,-3.21,;33.2,-3.97,;33.2,-5.51,;34.53,-6.29,;35.86,-5.53,;31.87,-6.27,;31.86,-7.82,;30.52,-8.59,;30.52,-10.13,;29.19,-7.82,;27.86,-8.6,;26.52,-7.82,;26.52,-6.28,;25.2,-5.52,;25.19,-3.99,;26.52,-3.21,;27.85,-3.98,;27.85,-5.51,;29.19,-6.27,;30.53,-5.49,)|

BDBM50503772

C=C=C[C@H]1CC[C@@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:6.9,wD:3.2,(59.29,-14.71,;57.96,-13.94,;56.63,-13.16,;55.29,-13.92,;53.96,-13.14,;52.62,-13.9,;52.62,-15.44,;53.95,-16.22,;55.28,-15.46,;51.29,-16.2,;51.29,-17.75,;49.94,-18.52,;49.94,-20.06,;48.61,-17.75,;47.28,-18.52,;45.94,-17.75,;45.94,-16.21,;44.62,-15.45,;44.61,-13.92,;45.94,-13.14,;47.27,-13.9,;47.27,-15.44,;48.61,-16.2,;49.95,-15.42,)|

BDBM89011

Oc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50503770

[N-]=[N+]=NCC1CCC(CC1)c1cc(=O)c2ccc3ccccc3c2o1 |(67.02,-2.78,;65.69,-3.56,;64.35,-4.32,;63.02,-3.54,;61.68,-4.3,;61.67,-5.84,;60.34,-6.6,;59.01,-5.82,;59.01,-4.28,;60.35,-3.52,;57.68,-6.58,;57.68,-8.13,;56.33,-8.9,;56.33,-10.44,;55,-8.13,;53.67,-8.9,;52.33,-8.13,;52.34,-6.59,;51.01,-5.83,;51,-4.3,;52.33,-3.52,;53.66,-4.29,;53.66,-5.82,;55,-6.58,;56.34,-5.8,)|

BDBM50503767

CC(=O)S[C@H]1CC[C@@H](CC1)c1cc(=O)c2ccc3ccccc3c2o1 |r,wU:7.10,wD:4.3,(20.04,-15.07,;18.7,-15.83,;18.69,-17.37,;17.37,-15.05,;16.03,-15.81,;14.7,-15.03,;13.36,-15.79,;13.36,-17.33,;14.68,-18.11,;16.01,-17.35,;12.02,-18.1,;12.02,-19.64,;10.68,-20.41,;10.67,-21.95,;9.34,-19.64,;8.01,-20.42,;6.68,-19.64,;6.68,-18.1,;5.35,-17.34,;5.34,-15.81,;6.67,-15.03,;8,-15.8,;8.01,-17.33,;9.35,-18.09,;10.68,-17.32,)|

BDBM50503773

[N-]=[N+]=Nc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM81244

COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1

BDBM50504115

COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1

BDBM50505041

[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1CC2(CC2)OC1=O |r|

BDBM50505783

Fc1ccc(Oc2ncc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r|

BDBM50505787

Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|

BDBM50505817

CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C

BDBM50506158

c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl

BDBM50506546

OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)n1

BDBM50507371

CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O

BDBM50507479

COc1cc(OCCn2ccnc2)cc(\C=C\c2cccs2)c1

BDBM50108048

COc1cc(OC)cc(\C=C\c2cccs2)c1

BDBM50507596

COc1cccc2c(OC)cc3c([nH]c(cc3=O)-c3cccc(Br)c3)c12

BDBM50507599

COc1ccc(cc1)-c1cc(=O)c2cc(OC)c3cccc(OC)c3c2[nH]1

BDBM50507598

COc1cc2c([nH]c(cc2=O)-c2ccc(F)cc2)c2c(OC)cccc12

BDBM50060417

Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1

BDBM85097

Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl

BDBM50060418

CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F

BDBM50507989

CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N

BDBM50508037

CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Nc1cc(Nc2ccc(cc2F)S(C)(=O)=O)ncn1 |r,wU:4.4,9.13,(74.67,-14.14,;73.18,-14.54,;74.28,-15.62,;72.16,-15.69,;70.76,-15.07,;70.91,-13.54,;72.41,-13.21,;69.42,-14.3,;68.08,-15.07,;68.09,-16.6,;69.42,-17.38,;70.74,-16.62,;66.75,-17.38,;65.42,-16.61,;64.09,-17.38,;62.76,-16.61,;61.42,-17.38,;60.09,-16.61,;60.08,-15.06,;58.75,-14.3,;57.42,-15.07,;57.42,-16.61,;58.75,-17.38,;58.75,-18.93,;56.08,-14.3,;54.75,-15.07,;55.31,-12.96,;56.85,-12.96,;62.75,-15.07,;64.07,-14.3,;65.42,-15.06,)|

BDBM50508127

CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(50.85,-41.06,;49.52,-41.85,;48.18,-41.09,;46.86,-41.88,;45.51,-41.12,;44.19,-41.9,;44.21,-43.43,;45.54,-44.2,;46.87,-43.42,;48.21,-44.18,;48.22,-45.72,;46.9,-46.5,;49.56,-46.47,;42.88,-44.22,;42.89,-45.76,;41.57,-46.54,;40.23,-45.77,;38.9,-46.55,;37.56,-45.8,;36.23,-46.58,;34.89,-45.82,;34.41,-44.35,;32.87,-44.36,;31.96,-43.12,;32.59,-41.71,;31.68,-40.47,;30.15,-40.63,;29.53,-42.05,;30.44,-43.29,;29.24,-39.39,;29.86,-37.98,;27.71,-39.56,;28.14,-38.29,;32.4,-45.83,;30.94,-46.31,;33.65,-46.72,;33.66,-48.26,;34.99,-49.03,;35,-50.58,;33.66,-51.35,;32.33,-50.58,;32.33,-49.03,;31,-48.26,;40.21,-44.24,;41.53,-43.46,)|

BDBM50508419

O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1

BDBM368199

CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O

BDBM382356

OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|

BDBM50509618

Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1

BDBM282825

OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1

BDBM409275

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1

BDBM409563

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1

BDBM409484

Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1

BDBM50509849

Cc1nnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)o1

BDBM409375

Cc1cc(ccc1F)-c1cnc2ccn(Cc3ncco3)c2c1

BDBM409271

Cc1cc(ccc1F)-c1cnc2ccn(CC3CCC3)c2c1

BDBM409575

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(n1)C(F)(F)F

BDBM409568

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1

BDBM409514

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1

BDBM409572

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F

BDBM409521

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(C)s1

BDBM409513

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)s1

BDBM409352

Cc1noc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)n1

BDBM409602

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1

BDBM409280

Cc1cc(ccc1F)-c1cnc2ccn(CC3CCOC3)c2c1

BDBM409279

Cc1cc(ccc1F)-c1cnc2ccn(Cc3ccccn3)c2c1

BDBM409569

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F

BDBM50509848

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)F

BDBM50509851

CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)cs1

BDBM253135

c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F

BDBM50510045

Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc2CNCc2c1

BDBM50510048

Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ncnc2CNCc12

BDBM50510038

Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(CN)cc1

BDBM50511548

C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C

BDBM50512490

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12

BDBM50512491

OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12

BDBM50512500

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2Cl)c2ccccc12

BDBM50512492

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12

BDBM50512497

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12

BDBM364371

OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12

BDBM50512501

OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccnc12

BDBM50512489

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12

BDBM50512502

OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12

BDBM364370

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12

BDBM50512498

OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12

BDBM50512499

Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2ccccc12

BDBM50112367

CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,3.7,;-2.67,3.08,;-2.67,1.54,;-3.73,.92,;-3.74,2.16,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)|

BDBM364364

OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12

BDBM50512488

Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2F)C(O)=O)c2ncccc12

BDBM50512503

OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12

BDBM50512914

CC(C)(O)CNC(=O)c1cnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)cn1 |r|

BDBM50512947

CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC

BDBM144227

CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC

BDBM50266869

Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N

BDBM50514843

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2sccc12

BDBM222178

Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N

BDBM50515064

Cn1cc(cn1)-c1ccc(N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)c(F)c1

BDBM50515083

Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12

BDBM50515066

Cn1cc(cn1)-c1ccc(cc1F)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12

BDBM50515069

Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 |r|

BDBM50515068

Cc1cc(ccc1-c1cnn(C)c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12

BDBM50515569

[#6]-[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2nc(=O)c3cc(cc(-[#7+](-[#8-])=O)c3s2)C(F)(F)F)-[#6]-[#6]-1

BDBM50515570

[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F

BDBM50515571

[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2nc(=O)c3cc(cc(-[#7+](-[#8-])=O)c3s2)C(F)(F)F)-[#6]-[#6]-1

BDBM50019654

COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C

BDBM50516045

COc1ncnc(Cn2cnc3c(cccc23)C(=O)NCCF)c1C

BDBM50516044

COc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1

BDBM50516168

COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C

BDBM50516412

[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|

BDBM374652

C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|

BDBM50516625

C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:24|

BDBM370472

CC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12

BDBM370487

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1

BDBM370517

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1

BDBM370504

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1cncnc1

BDBM370452

OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1

BDBM370489

OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1

BDBM370488

OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(F)(F)CC1

BDBM370572

OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,wD:18.24,(-3.63,-2.93,;-2.86,-1.59,;-3.63,-.26,;-5.17,-.26,;-6.08,.99,;-5.76,2.49,;-6.9,3.52,;-8.37,3.05,;-8.69,1.54,;-7.54,.51,;-7.54,-1.03,;-8.45,-2.28,;-7.54,-3.52,;-6.08,-3.05,;-6.08,-1.51,;-1.32,-1.59,;-.55,-.26,;.99,-.26,;1.76,-1.59,;.99,-2.93,;-.55,-2.93,;3.3,-1.59,;4.07,-.26,;3.3,1.07,;5.61,-.26,;6.38,-1.59,;7.92,-1.59,;8.69,-.26,;7.92,1.07,;6.38,1.07,)|

BDBM370551

O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wD:3.2,1.0,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|

BDBM370555

O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|

BDBM370559

OC(CC1c2ccccc2-c2cncn12)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,18.24,(-2.83,-1.79,;-2.43,-.3,;-3.52,.78,;-5.01,.39,;-6.26,1.29,;-6.42,2.82,;-7.82,3.45,;-9.07,2.54,;-8.91,1.01,;-7.5,.39,;-7.03,-1.08,;-7.5,-2.54,;-6.26,-3.45,;-5.01,-2.54,;-5.49,-1.08,;-.95,.09,;.14,-1,;1.63,-.6,;2.03,.89,;.94,1.98,;-.55,1.58,;3.52,1.29,;4.61,.2,;4.21,-1.29,;6.09,.6,;7.18,-.49,;8.67,-.09,;9.07,1.4,;7.98,2.49,;6.49,2.09,)|

BDBM50138819

OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1

BDBM370460

OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1 |(2.62,3.33,;1.85,2,;.31,2,;-.46,.67,;-2,.51,;-2.32,-1,;-3.78,-1.48,;-4.93,-.45,;-4.61,1.06,;-3.14,1.54,;-2.74,3.02,;-.98,-1.77,;-.36,-3.18,;1.18,-3.02,;1.5,-1.51,;.16,-.74,;2.62,.67,;1.85,-.67,;2.62,-2,;4.16,-2,;4.93,-3.33,;4.93,-.67,;4.16,.67,)|

BDBM50126144

c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O

BDBM370467

OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1

BDBM370553

O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:1.0,19.22,wD:3.2,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|

BDBM370519

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1

BDBM370526

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1

BDBM370506

OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)C1CCCCC1

BDBM50517387

Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2COCc12)C#N

BDBM50517497

O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1

BDBM288677

C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|

BDBM50517552

COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|

BDBM50517551

C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|

BDBM143362

Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.39,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)|

BDBM143355

CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C

BDBM143373

Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)|

BDBM143359

Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(12.65,-1.17,;11.31,-1.94,;11.31,-3.48,;9.98,-4.25,;8.65,-3.48,;8.65,-1.94,;9.98,-1.17,;7.31,-4.25,;7.31,-5.79,;5.98,-3.48,;4.65,-4.25,;4.65,-5.79,;3.31,-6.56,;1.98,-5.79,;1.98,-4.25,;3.31,-3.48,;.65,-6.56,;-.69,-5.79,;-.69,-4.25,;-2.02,-3.48,;-3.36,-4.25,;-3.36,-5.79,;-4.69,-6.56,;-6.02,-5.79,;-6.02,-4.25,;-7.36,-3.48,;-8.69,-4.25,;-8.69,-5.79,;-7.36,-6.56,;-10.02,-3.48,;-11.36,-4.25,;-10.02,-1.94,;-10.02,-5.02,;-2.02,-6.56,)|

BDBM50518404

Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12

BDBM50518408

Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12

BDBM50518702

Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl

BDBM50518710

Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl

BDBM50073056

COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1

BDBM28583

COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1

BDBM50507816

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM223287

CC(C)(CN(c1cc(c(cc1F)F)Cl)c2cnc(c(n2)OC)C(=O)[C@H]3C[C@@H]3C(=O)O)F

BDBM50519571

COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12 |r|

BDBM50519636

CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1

BDBM50159614

Fc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519896

Oc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519897

CN1CCN(CC1)c1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519902

Fc1ccccc1-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50159609

Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50159666

Clc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50159640

Clc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519903

COc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50439848

COc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519904

Clc1cc(Cl)cc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50235215

Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519905

COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519906

O=c1cc(oc2c3ccccc3ccc12)-c1ccc2ccccc2c1

BDBM50519907

CN1CCN(CC1)c1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519908

O=c1cc(oc2c3ccccc3ccc12)-c1cccc(c1)N1CCOCC1

BDBM50519909

O=c1cc(oc2c3ccccc3ccc12)-c1ccccn1

BDBM50159612

O=c1cc(oc2c3ccccc3ccc12)-c1ccncc1

BDBM50519898

O=c1cc(sc2c3ccccc3ccc12)-c1ccccc1

BDBM50519900

Fc1ccccc1-c1cc(=O)c2ccc3ccccc3c2s1

BDBM50519921

Clc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2s1

BDBM50519918

Clc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2s1

BDBM50519911

O=C1C=C(c2ccccc2)S(=O)(=O)c2c1ccc1ccccc21 |t:2|

BDBM50519899

Fc1cccc(c1)-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50519919

Clc1cccc(c1)-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50519901

COc1cccc(c1)-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50519914

COc1cc(cc(OC)c1OC)-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50519915

O\N=c1/cc(oc2c3ccccc3ccc12)-c1ccccc1

BDBM50519920

O\N=c1/cc(oc2c3ccccc3ccc12)-c1ccc(Cl)cc1

BDBM50519910

Clc1ccccc1-c1cc(=O)c2ccc3ccccc3c2s1

BDBM50519923

S=c1cc(oc2c3ccccc3ccc12)-c1ccccc1

BDBM50519924

Clc1ccc(cc1)-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50519925

O\N=c1/cc(oc2c3ccccc3ccc12)-c1cccc(Cl)c1

BDBM50519912

Clc1cccc(c1)C1=CC(=O)c2ccc3ccccc3c2S1(=O)=O |t:8|

BDBM50519916

FC(F)(F)c1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50159611

O=c1cc(oc2c3ccccc3ccc12)-c1cccnc1

BDBM50159673

Fc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50159655

Clc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519926

CN(C)c1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519922

COc1cc(Cl)cc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519917

CN1CCN(CC1)c1cc(Cl)cc(c1)-c1cc(=O)c2ccc3ccccc3c2o1

BDBM50519913

Fc1ccc(cc1)-c1cc(=S)c2ccc3ccccc3c2o1

BDBM50520151

C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1 |r|

BDBM50520394

Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N

BDBM50520561

Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1

BDBM50520740

[O-][N+](=O)c1cc(cc2c1sc(cc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F

BDBM50521385

C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2

BDBM50522404

c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N

BDBM50522405

COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N

BDBM50522406

Nc1nc2ccc(cc2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1

BDBM50522409

c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N

BDBM50522415

Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccc(Cl)c(Cl)c1

BDBM50522422

COc1ccc2c(c1)sc(n2)N

BDBM30705

c1cc2c(cc1OC(F)(F)F)sc(n2)N

BDBM50522423

Nc1nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2s1

BDBM50522407

COC(=O)C1CCN(CC1)C(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1

BDBM50522417

CSc1ccc2nc(N)sc2c1

BDBM50522424

c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl

BDBM50522425

COC(=O)c1ccc(CSc2ccc3nc(N)sc3c2)cc1

BDBM50522421

COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N

BDBM50522402

Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1

BDBM50522426

Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccc(cc1)C#N

BDBM50522428

COC(=O)C1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1

BDBM50522414

Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1

BDBM50522429

c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl

BDBM50522403

COc1cc(CNC(=O)c2ccc3nc(N)sc3c2)cc(OC)c1OC

BDBM50522430

Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1[N+]([O-])=O

BDBM50522431

Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1N

BDBM50522412

Nc1nc2ccc(cc2s1)C(=O)NCCc1cccs1

BDBM50522433

Nc1nc2ccc(cc2s1)C(=O)NCCc1c[nH]c2ccccc12

BDBM50522408

COc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2ccc3nc(N)sc3c2)cc1OC

BDBM50522419

Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccccc1

BDBM50522435

Nc1nc2c(cc(O)c(O)c2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1

BDBM50522436

Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccccc1

BDBM50522416

COC(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1

BDBM168436

c1cc2c(cc1SC(F)(F)F)sc(n2)N

BDBM50335097

CS(=O)(=O)c1ccc2c(c1)sc(n2)N

BDBM50522427

COC(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1

BDBM50522420

COC(=O)c1ccc(CNC(=O)c2ccc3nc(N)sc3c2)cc1

BDBM50522432

COC(=O)C1CCN(CC1)C(=O)c1ccc2nc(N)sc2c1

BDBM50522434

Nc1nc2ccc(cc2s1)C(=O)N(CCO)Cc1ccccc1

BDBM50522411

Nc1nc2ccc(SCc3ccc(cc3)C#N)cc2s1

BDBM50522410

Nc1nc2ccc(OCc3ccccc3)cc2s1

BDBM50522437

Nc1nc2ccc(SCc3ccccc3)cc2s1

BDBM50522440

Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccccc1

BDBM50522438

c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N

BDBM50522439

Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccc(Cl)c(Cl)c1

BDBM50522418

Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C(=O)NCc1ccccc1

BDBM50522413

Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C#N

BDBM373711

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1

BDBM50522626

COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r|

BDBM348323

O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|

BDBM50522686

c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5

BDBM253427

CC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:2.1,5.8,wD:16.19,2.11,(-.36,-3.62,;-1.75,-2.95,;-3.02,-3.81,;-4.52,-4.18,;-4.94,-5.66,;-3.87,-6.77,;-2.38,-6.4,;-1.95,-4.92,;-4.3,-8.25,;-3.23,-9.36,;-5.79,-8.62,;-3.65,-2.4,;-5.18,-2.24,;-2.75,-1.16,;-1.21,-1.16,;-.73,.31,;-1.98,1.21,;-3.22,.31,;-.44,1.05,;.46,2.3,;1.99,2.14,;2.62,.73,;1.71,-.51,;.18,-.35,;4.15,.57,;4.31,2.1,;3.99,-.96,;3.83,-2.49,;2.46,-.8,;5.52,-1.12,;5.68,.41,;7.21,.25,;6.45,-.92,;5.84,1.94,;-3.01,2.36,;-4.15,1.33,;-4.04,3.5,;-1.86,3.39,;-2.18,4.9,;-1.04,5.93,;.43,5.45,;1.57,6.48,;.75,3.94,;-.4,2.91,)|

BDBM253432

OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|

BDBM50523014

C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,1.0,(20.11,-34.06,;20.13,-35.61,;21.54,-36.23,;22.79,-35.33,;22.63,-33.79,;23.89,-32.89,;25.31,-33.52,;25.45,-35.06,;24.21,-35.96,;26.63,-34.29,;27.95,-33.52,;27.96,-31.99,;28.72,-30.66,;29.5,-31.98,;26.64,-31.23,;25.3,-31.99,;18.89,-36.51,;17.42,-36.03,;16.51,-37.29,;17.42,-38.54,;18.88,-38.05,;14.96,-37.28,;14.2,-38.62,;12.65,-38.62,;11.88,-39.95,;11.88,-37.29,;10.34,-37.29,;9.56,-35.96,;8.03,-35.97,;9.96,-34.47,;11.05,-35.56,;12.65,-35.95,;11.87,-34.63,;14.19,-35.95,)|

BDBM50524103

Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|

BDBM50524101

Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|

BDBM50524102

Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|

BDBM50525274

COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1

BDBM50525282

COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1

BDBM50525275

COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1

BDBM50525867

CN(C)C(=O)c1cccc(c1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1

BDBM50525874

Fc1ccc(cn1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1COC1

BDBM50525866

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1

BDBM50525869

O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccccc1)NC1CC1

BDBM50525875

O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccc(cc1)C(=O)N1CCOCC1)NC1CC1

BDBM50525881

CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(c(C)cc12)-c1ccc(cc1C)C(F)(F)F |r|

BDBM50525884

CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2cc(c(C)cc2n1)-c1ccc(cc1C)C(F)(F)F |r|

BDBM50525890

CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2c(C)c(ccc2n1)-c1ccc(cc1Cl)C(F)(F)F |r|

BDBM50525883

CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(c(C)cc12)-c1ccc(cc1Cl)C(F)(F)F |r|

BDBM50526314

Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O

BDBM50526756

CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O

BDBM50526774

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1O

BDBM50526757

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O

BDBM50527104

Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r|

BDBM50527193

[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6] |c:24|

BDBM50527569

CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

BDBM50527645

Clc1ccc(Cn2nccc2-c2cc3n(nnc3cn2)-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1

BDBM50527653

Nc1nn(-c2ccc3cn[nH]c3c2)c2cc(cnc12)-c1ccnn1Cc1ccc(Cl)cc1Cl

BDBM50527648

Fc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N

BDBM50527655

Clc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cn1)C#N

BDBM50527650

Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N

BDBM50527649

Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N

BDBM50527652

Clc1cc(ccc1Cn1nccc1-c1cc2n(nnc2cn1)-c1ccc2[nH]c(=O)[nH]c2c1)C#N

BDBM50527651

N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1

BDBM50527647

Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1

BDBM50527646

Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1

BDBM50527831

[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|

BDBM50527963

OC(=O)CCCCCCCNn1nnc2ccccc12

BDBM50527962

OC(=O)CCCCCNn1nnc2ccccc12

BDBM50528196

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1

BDBM50528192

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|

BDBM50528190

COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C

BDBM50529793

Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12

BDBM50529950

Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1

BDBM50529948

Cn1cc(cc1-c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1

BDBM50529952

Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1

BDBM50529951

Clc1ccc(cc1)C(c1c[nH]c(c1)-c1ccc(Cl)cc1)n1ccnc1

BDBM50529949

Clc1ccc(cc1)-n1ccc(c1)C(c1ccc(Cl)cc1Cl)n1ccnc1

BDBM50529957

Clc1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)n1

BDBM50529958

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1

BDBM50529959

CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1

BDBM50529971

CC(C)N(C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1

BDBM50529972

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1

BDBM50529976

[#6]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50122758

Cc1nc(cs1)C#Cc1cccnc1

BDBM50529965

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529973

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccc(cc1)C#N

BDBM50529989

Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1ccco1

BDBM50529967

[#6]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529991

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529961

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccccc1

BDBM50529983

CCN(C(C)C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1

BDBM50529979

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(c1)C#N

BDBM50529954

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])c1

BDBM50529993

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1

BDBM50529974

[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529975

CCOC(=O)N1CC\C(C1)=C\C#Cc1cccc(C)n1

BDBM50529956

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]C2([#6]-1)[#6]\[#6](-[#6]2)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50105834

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O

BDBM50084137

Cc1cccc(n1)C#Cc1ccccc1

BDBM50529978

[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529990

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(F)c1

BDBM50529998

[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529955

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(F)c1

BDBM50529987

Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1cccc(Cl)c1

BDBM50529963

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]\[#6](-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529980

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(Cl)c1

BDBM50529977

[#6]-[#6]-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1

BDBM50529962

[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]-c1ccccc1

BDBM250082

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|

BDBM50530539

CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1

BDBM50530533

CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1

BDBM50530537

CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C

BDBM50086068

COc1cc2CCN(C(=O)Nc3cc4CCOc4c(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086069

COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2cc1C(F)(F)F

BDBM50086072

COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086067

COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cnccc3C)c2cc1C(F)(F)F

BDBM50086052

COc1cc2CCN(C(=O)Nc3ccc(Cl)c(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086066

COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccccc3)c2cc1C(F)(F)F

BDBM50086051

COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086063

COc1cc2CCN(C(=O)Nc3ccc(C)c(c3)-c3cnccc3C)c2cc1C(F)(F)F

BDBM50086058

COc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F

BDBM50086070

COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086061

COc1cc2CCN(C(=O)Nc3cccc(c3)-c3ccccn3)c2cc1C(F)(F)F

BDBM50086053

COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cnccc3C)c2cc1C(F)(F)F

BDBM50086073

COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F

BDBM50086059

COc1cc2CCN(C(=O)Nc3cncc(c3)-c3ccncc3)c2cc1C(F)(F)F

BDBM50086062

COc1cc2CCN(C(=O)Nc3cc(Br)cc(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086064

COc1ccc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc1-c1cccnc1

BDBM50086056

COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086074

COc1cc2CCN(C(=O)Nc3ccc(nc3)-c3cccnc3)c2cc1C(F)(F)F

BDBM50086071

COc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F

BDBM50086055

CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1

BDBM50086054

COc1cc2CCN(C(=O)Nc3cccc(c3)-c3cccnc3C)c2cc1C(F)(F)F

BDBM50086065

Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F

BDBM50531005

CNC(=O)C(=O)NCCCC\C=C/CCCCCCCOCC(O)=O

BDBM50531004

CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCC(O)=O

BDBM50531003

CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1

BDBM50531416

Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12

BDBM50531422

CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O

BDBM50531732

OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I

BDBM50531908

CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1

BDBM50532066

CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:5|

BDBM50532067

Cc1noc(n1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO |t:22|

BDBM50532075

CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccoc1 |c:6|

BDBM50532062

COc1ccccc1[C@H]1N(C(=O)C([O-])=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1 |r,c:14|

BDBM50532064

CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccsc1 |c:6|

BDBM50532068

C[S+]([O-])CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:18|

BDBM50532072

COCCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:17|

BDBM50532076

COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:14|

BDBM50532063

CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1cccs1 |c:6|

BDBM50532074

Cc1nc(no1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO |t:22|

BDBM50532073

CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccon1 |c:6|

BDBM50532078

CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC[S+](C)[O-])c1ccc(cc1)-c1ccsc1 |c:5|

BDBM50532061

Cc1cc(on1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO |t:22|

BDBM50532077

CN(C)C(=O)COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:19|

BDBM50532081

COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1 |c:14|

BDBM50532082

CN(C)CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:18|

BDBM50532070

CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:6|

BDBM50532533

O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|

BDBM50532637

COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12 |t:9|

BDBM50532639

COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|

BDBM50533086

O=C(N1CCn2nc(cc2C1)-c1ccccn1)c1ccccc1

BDBM50533222

Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2ccc(F)cc2F)c1=O |(32.63,-2.61,;31.73,-3.85,;30.19,-3.86,;29.16,-2.71,;27.66,-3.04,;27.18,-4.51,;28.22,-5.65,;29.72,-5.33,;30.97,-6.22,;30.97,-7.76,;29.65,-8.53,;29.64,-10.08,;30.98,-10.85,;32.31,-10.08,;33.79,-10.56,;34.7,-9.3,;33.79,-8.05,;32.31,-8.53,;28.31,-10.85,;26.98,-10.07,;25.65,-10.84,;25.64,-12.38,;24.31,-13.15,;26.99,-13.15,;28.31,-12.38,;29.65,-13.15,;32.21,-5.32,;33.67,-5.79,)|

BDBM50533232

Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)|

BDBM50533231

Cc1cccc(n1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1

BDBM50533236

CCn1c2cnccc2n(-c2cc(ncc2C)-c2cc(Cl)ccc2F)c1=O |(33.49,-17.46,;31.95,-17.31,;31.05,-18.55,;29.52,-18.56,;28.49,-17.42,;26.98,-17.74,;26.51,-19.21,;27.54,-20.35,;29.04,-20.03,;30.29,-20.92,;30.3,-22.46,;28.97,-23.23,;28.97,-24.78,;30.3,-25.55,;31.63,-24.78,;31.63,-23.23,;32.97,-22.45,;27.64,-25.55,;26.3,-24.77,;24.97,-25.54,;23.64,-24.77,;24.97,-27.08,;26.31,-27.85,;27.64,-27.08,;28.97,-27.85,;31.53,-20.02,;33,-20.49,)|

BDBM50533223

Fc1ccc(Cl)cc1-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(18.42,-12.28,;17.08,-11.52,;15.76,-12.29,;14.41,-11.52,;14.42,-9.98,;13.08,-9.2,;15.75,-9.21,;17.08,-9.98,;18.41,-9.21,;18.42,-7.67,;19.74,-6.9,;19.74,-5.36,;18.49,-4.46,;16.99,-4.78,;15.95,-3.65,;16.42,-2.17,;17.93,-1.85,;18.96,-3,;20.5,-2.99,;20.98,-4.45,;22.44,-4.93,;21.08,-7.66,;22.56,-7.18,;23.47,-8.44,;22.56,-9.69,;21.08,-9.21,;19.75,-9.98,)|

BDBM50533225

CC(C)(N)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F

BDBM50533226

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1cc(Cl)ccc1F |r|

BDBM50533234

Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1

BDBM50533237

Fc1ccc(cc1F)-c1cc(Nc2ccncc2)c2cc[nH]c2n1

BDBM50533235

Fc1ccccc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1

BDBM50533221

Cc1cnc(cc1-n1c2ccncc2n(C)c1=O)-c1cc(Cl)ccc1F |(10.72,-21.17,;9.39,-21.94,;9.39,-23.49,;8.05,-24.27,;6.72,-23.49,;6.72,-21.95,;8.05,-21.18,;8.04,-19.64,;6.79,-18.74,;5.29,-19.06,;4.26,-17.93,;4.73,-16.45,;6.24,-16.13,;7.27,-17.27,;8.8,-17.27,;9.7,-16.02,;9.28,-18.73,;10.75,-19.21,;5.39,-24.26,;4.05,-23.49,;2.72,-24.26,;1.39,-23.49,;2.72,-25.8,;4.06,-26.57,;5.39,-25.8,;6.72,-26.57,)|

BDBM50533239

C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F |r|

BDBM50533227

Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1

BDBM50533229

Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1

BDBM50533228

Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1

BDBM50533224

Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2cc(Cl)ccc2F)c1=O |(44.86,-2.72,;43.96,-3.97,;42.43,-3.98,;41.4,-2.83,;39.89,-3.15,;39.42,-4.63,;40.45,-5.76,;41.95,-5.44,;43.2,-6.34,;43.21,-7.88,;41.88,-8.65,;41.88,-10.19,;43.21,-10.96,;44.54,-10.19,;46.02,-10.67,;46.93,-9.42,;46.02,-8.16,;44.54,-8.64,;40.55,-10.96,;39.21,-10.19,;37.88,-10.96,;36.55,-10.18,;37.88,-12.5,;39.22,-13.27,;40.55,-12.5,;41.88,-13.26,;44.44,-5.43,;45.91,-5.91,)|

BDBM50533238

CNCCNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F

BDBM50533230

Fc1ccc(c(F)c1)-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(1.03,-11.64,;2.37,-10.86,;2.37,-9.32,;3.7,-8.56,;5.03,-9.33,;5.04,-10.86,;6.37,-11.63,;3.71,-11.64,;6.37,-8.56,;6.37,-7.02,;7.7,-6.25,;7.69,-4.71,;6.44,-3.81,;4.94,-4.13,;3.9,-2.99,;4.38,-1.52,;5.89,-1.2,;6.92,-2.34,;8.45,-2.34,;8.93,-3.8,;10.39,-4.27,;9.03,-7.01,;10.51,-6.53,;11.42,-7.78,;10.51,-9.04,;9.03,-8.56,;7.7,-9.33,)|

BDBM50533496

CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C

BDBM50194715

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

BDBM50533755

C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F

BDBM50533783

C[C@H]1CC[C@@H](CC1)NC(=O)c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCN(C)c2c1C |r,wU:1.0,wD:15.16,4.7,(32.67,-26.07,;34,-25.3,;34.01,-23.76,;35.33,-22.99,;36.66,-23.76,;36.68,-25.3,;35.34,-26.07,;37.99,-22.98,;39.33,-23.75,;39.34,-25.29,;40.66,-22.97,;41.99,-23.74,;43.33,-22.97,;44.66,-23.74,;43.32,-21.42,;44.65,-20.65,;44.65,-19.11,;45.97,-18.32,;47.51,-18.32,;46.74,-19.66,;45.97,-16.79,;45.99,-21.41,;47.32,-20.64,;46,-22.95,;41.99,-20.66,;40.66,-21.43,;39.33,-20.66,;41.98,-19.12,;43.31,-18.35,;43.31,-16.81,;41.97,-16.04,;41.94,-14.5,;40.6,-13.75,;39.27,-14.55,;39.3,-16.1,;37.98,-16.89,;40.65,-16.83,;40.65,-18.36,;39.31,-19.13,)|

BDBM50534274

NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1

BDBM50534415

c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O

BDBM50534425

C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F

BDBM50535429

COc1ccc2c(c1)oc(c(O)c2=O)-c1ccc2OCOc2c1

BDBM50081709

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccccc1

BDBM50535770

CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(c(F)c1)-c1ccccc1 |r|

BDBM50535769

CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1F)-c1ccccc1 |r|

BDBM238766

C[C@H]1NC(=O)c2cc([nH]c12)-c1cccc2c1nc(NC(C)(C)C)n(C)c2=O

BDBM50536168

Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1

BDBM50536172

NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N

BDBM50536167

Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1

BDBM50536169

CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1

BDBM50536173

CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1

BDBM50536170

Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1

BDBM50536192

Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1

BDBM50536191

C1CN(CCO1)C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1

BDBM50536194

C(C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1)N1CCOCC1

BDBM50536642

COc1nn2cc(nc2s1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12

BDBM50536645

CSc1ncc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12

BDBM50536646

COc1ccc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12

BDBM193124

OC(=O)c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1

BDBM50536932

COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1

BDBM50536933

COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1

BDBM50536931

Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1

BDBM50536934

COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1

BDBM50537147

CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1 |r|

BDBM50537940

CN(C)c1ccc(cc1)-c1ncc2ccccc2n1

BDBM50537941

[O-][N+](=O)c1cccc(c1)-c1ncc2ccccc2n1

BDBM50537942

c1ccc2nc(ncc2c1)-c1ccnc2ccccc12

BDBM50538150

CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(C)=O)c3)n2)nc1

BDBM50538344

Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1

BDBM50538665

CC(C)CCNC1=CC(=O)c2ccccc2C1=O |t:6|

BDBM50538668

Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1

BDBM50538669

Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCC[C@H]1O |r|

BDBM50538670

Nc1ncnc2n(nc(Oc3cc(ccn3)C#N)c12)[C@H]1C[C@H](F)C1 |r,wU:19.21,wD:21.24,(4.07,-26.23,;4.07,-27.77,;2.74,-28.54,;2.74,-30.08,;4.08,-30.85,;5.42,-30.07,;6.89,-30.54,;7.79,-29.29,;6.87,-28.04,;7.34,-26.58,;8.84,-26.25,;9.3,-24.78,;10.8,-24.45,;11.85,-25.59,;11.38,-27.06,;9.87,-27.39,;11.25,-22.99,;11.72,-21.52,;5.41,-28.53,;7.38,-32,;8.75,-32.69,;8.06,-34.07,;8.55,-35.53,;6.68,-33.38,)|

BDBM50249522

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1

BDBM50539187

Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1

BDBM50539248

CN1CN(CC1=O)C(=O)CSc1ncnc2oc(c(C)c12)C(F)(F)F

BDBM50539550

CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r|

BDBM391726

Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|

BDBM369940

CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|

BDBM50540044

C[C@@H](Nc1nc2n(ncc2c(=O)n1Cc1ccc(F)cc1)C(C)(C)C)c1ccc(Cl)cc1 |r|

BDBM50540668

C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1cc(ccn1)C(F)(F)F)C1CCCCC1 |r|

BDBM50540669

COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r|

BDBM50540670

C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1cc(Cl)ccn1)C1CCCCC1 |r|

BDBM50540671

C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1nccc2ccccc12)C1CCCCC1 |r|

BDBM50540846

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

BDBM50541190

CC1(C)CN2CCNCc3cccc1c23

BDBM50541192

C1CC2(C1)CN1CCNCc3cccc2c13

BDBM50541693

O[C@H]1CC[C@@H](CC1)NC(=O)CCCCCc1ccccc1 |r,wU:4.7,wD:1.0,(23.68,-40.08,;25.01,-40.84,;25.01,-42.38,;26.34,-43.14,;27.67,-42.38,;27.67,-40.84,;26.34,-40.06,;29,-43.15,;30.34,-42.39,;30.34,-40.85,;31.67,-43.16,;33.01,-42.39,;34.34,-43.16,;35.67,-42.39,;37.01,-43.17,;38.34,-42.4,;39.66,-43.17,;41,-42.41,;41,-40.87,;39.66,-40.09,;38.33,-40.87,)|

BDBM50541922

C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O

BDBM50542060

C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|

BDBM50542476

C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542473

C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542474

C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542519

C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CC[C@H](F)C[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542511

C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)C2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542510

C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CC(F)(F)C[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542509

CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)C(=O)NCC(C)(C)O |r|

BDBM50542500

CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542490

C[C@H](NS(=O)(=O)c1ccc(-c2sc(NC(=O)CC(C)(C)O)nc2C(=O)N2CCC(F)CC2)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542488

CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N(CC)CC)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|

BDBM50542480

CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)C(=O)NCC(C)(C)O)c(C(F)F)c1F)C(F)(F)F |r|

BDBM50543100

CNC(=O)[C@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 |r|

BDBM50543257

OC(=O)c1cc(-c2ccc(cc2)C23CCN(CC2)CC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F

BDBM50543256

OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C12CCN(CC1)CC2

BDBM50543599

CNC(=O)c1ccc(cn1)-c1c(C)nc2c(OCc3ccc(cc3F)-c3ccc(F)cc3)cccn12

BDBM50544366

Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|

BDBM50528194

COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

BDBM50544401

COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

BDBM50505255

c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F

BDBM50545175

NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|

BDBM50545576

CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N

BDBM50545573

CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N

BDBM50545777

C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|

BDBM50545778

C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|

BDBM368549

CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM368548

C1CC1c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50078637

O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM368520

FC(F)(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM368515

FC(F)(F)c1nccc2cc(Nc3n[nH]c4nccnc34)ccc12

BDBM368552

N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1

BDBM368542

N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1

BDBM368526

FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12

BDBM50546065

COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C

BDBM50546133

CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|

BDBM50546134

CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)S(F)(F)(F)(F)F)cc1 |r|

BDBM50546135

CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(C)(F)F)cc1 |r|

BDBM50546183

Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)F

BDBM297411

Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C(O)=O)-c1ccccc1

BDBM520995

Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r|

BDBM50318679

OC(=O)CNC(=O)c1ncc(cc1O)C#CCOc1ccc(Cl)cc1

BDBM50511112

COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2

BDBM50546728

C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3cnn(C)c3)c2n1 |r|

BDBM50546729

C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(NC(C)=O)cc2n1 |r|

BDBM50546730

C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3cnn(C)c3)c2n1 |r|

BDBM50546898

CC(Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.46,;46.93,-25.8,;45.4,-25.81,;44.92,-24.34,;43.38,-24.36,;42.36,-23.21,;40.85,-23.53,;40.39,-25,;41.41,-26.13,;42.9,-25.81,;44.15,-26.71,;44.16,-28.25,;42.83,-29.02,;42.83,-30.57,;44.17,-31.33,;44.18,-32.87,;43.41,-34.21,;44.95,-34.21,;45.5,-30.56,;46.84,-31.32,;48.17,-30.55,;48.16,-29,;46.83,-28.24,;45.5,-29.01,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|

BDBM50546899

CC(Sc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.47,;46.93,-25.8,;45.4,-25.81,;44.92,-24.35,;43.39,-24.36,;42.36,-23.22,;40.86,-23.53,;40.39,-25,;41.41,-26.14,;42.91,-25.82,;44.16,-26.71,;44.17,-28.25,;42.84,-29.02,;42.83,-30.57,;44.17,-31.34,;44.18,-32.88,;43.42,-34.21,;44.96,-34.21,;45.5,-30.56,;46.84,-31.32,;48.18,-30.55,;48.17,-29,;46.83,-28.24,;45.5,-29.02,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|

BDBM50546900

Brc1nnc(SCC(=O)NS(=O)(=O)c2ccc(Br)cc2)n1-c1ccc(C2CC2)c2ccccc12 |(37.92,-23.83,;39.38,-23.35,;39.87,-21.89,;41.4,-21.88,;41.88,-23.35,;43.41,-23.34,;44.18,-22,;45.72,-22,;46.49,-23.33,;46.48,-20.66,;48.02,-20.65,;49.34,-21.42,;48.02,-22.18,;48.78,-19.33,;50.32,-19.33,;51.08,-18,;50.31,-16.67,;51.06,-15.34,;48.77,-16.68,;48.02,-18.01,;40.63,-24.25,;40.64,-25.79,;39.31,-26.56,;39.31,-28.1,;40.64,-28.88,;40.65,-30.42,;39.9,-31.75,;41.44,-31.74,;41.99,-28.1,;43.32,-28.86,;44.66,-28.09,;44.65,-26.54,;43.31,-25.78,;41.98,-26.55,)|

BDBM50547793

C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)c1cc(ccn1)-c1ccccc1 |r|

BDBM230107

Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|

BDBM50548025

CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O

BDBM168191

COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C |r|

BDBM50548260

COc1c(oc2c3ccoc3ccc2c1=O)-c1ccc2OCOc2c1

BDBM50548258

O=c1cc(oc2c3ccoc3ccc12)-c1ccccc1

BDBM50548385

O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|

BDBM50548386

O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|

BDBM319585

C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|

BDBM300969

C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|

BDBM50548493

Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F

BDBM50108045

COc1cc(OC)cc(\C=C\c2cc(OC)c(OC)c(OC)c2)c1

BDBM50108046

c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O

BDBM50108049

COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2)c1

BDBM50108047

COc1cc(OC)cc(\C=C\c2ccoc2)c1

BDBM23928

COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1

BDBM50108053

COc1ccc(\N=C\c2cc(OC)cc(OC)c2)c(OC)c1

BDBM50108051

COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(OC)c1

BDBM50108054

COc1cc(OC)cc(\C=C\c2ccncc2)c1

BDBM50108044

COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(F)c1

BDBM50085526

COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1

BDBM50108050

COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(O)c1

BDBM50548670

CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r|

BDBM106291

COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(cc1)-c1ccsc1

BDBM50548740

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nccs1

BDBM50548741

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nnc(C)o1

BDBM50548742

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nc(C)no1

BDBM50548743

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1noc(C)n1

BDBM106296

COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(cc1)-c1ncco1

BDBM50548744

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1cc(C)no1

BDBM50548745

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)C(=O)N(C)C

BDBM106144

CCOC(=O)c1ccc(cc1)N1C(c2c(n[nH]c2C(C)(C)C)C1=O)c1ccccc1OC

BDBM50548747

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(F)cc1

BDBM50548737

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1ccon1

BDBM106187

CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCCO)c1ccc(cc1)-c1ccon1

BDBM50548754

CC(C)(C)c1n[nH]c2C(=O)N(C(c12)c1ccccc1OCCS(C)(=O)=O)c1ccc(cc1)-c1ccon1

BDBM106116

CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccon1

BDBM50548755

COc1ccccc1C1N(C(=O)c2[nH]nc(CCO)c12)c1ccc(cc1)-c1ccon1

BDBM50548756

COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)CO)c1ccc(cc1)-c1ccon1

BDBM106345

COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(CO)CO)c1ccc(cc1)-c1ccon1

BDBM50549046

CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1

BDBM50549243

CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O

BDBM207624

C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|

BDBM50549456

Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(5.4,-17.02,;6.94,-17.02,;7.71,-15.68,;9.25,-15.69,;10.02,-17.02,;9.24,-18.35,;10,-19.68,;11.54,-19.69,;12.44,-20.94,;13.91,-20.47,;15.25,-21.24,;16.59,-20.47,;17.92,-21.23,;19.25,-20.46,;19.25,-18.93,;20.59,-18.16,;21.93,-18.94,;21.92,-20.48,;20.59,-21.24,;23.26,-18.17,;24.59,-18.94,;23.27,-16.63,;16.58,-18.91,;15.24,-18.15,;13.92,-18.93,;12.45,-18.44,;11.98,-16.98,;7.7,-18.35,)|

BDBM50549522

Cc1nc(-c2cccc(c2)C#N)n(OCc2ccc(cc2)C#N)c1C(O)=O

BDBM197654

OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1

BDBM50550247

C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(60.04,-10.5,;60.05,-8.96,;58.71,-8.19,;58.71,-6.65,;60.05,-5.88,;61.38,-6.65,;61.37,-8.19,;62.71,-8.97,;62.7,-10.51,;64.04,-11.28,;65.37,-10.51,;65.37,-8.96,;64.03,-8.2,;66.7,-8.19,;66.7,-6.65,;68.04,-8.95,;69.37,-8.18,;69.34,-6.65,;70.32,-5.35,;71.74,-5.88,;71.78,-7.46,;70.78,-8.72,;72.11,-8.21,;72.07,-6.73,;73.54,-7.12,;73.23,-5.42,;70.73,-6.27,;57.39,-5.88,;57.4,-4.33,;56.07,-3.56,;54.73,-4.32,;54.73,-5.87,;56.06,-6.64,;53.4,-3.54,;52.06,-4.32,;52.62,-2.21,;54.16,-2.2,)|

BDBM50550252

CNC(=O)c1ccc(cn1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wD:14.15,TLB:26:27:35:30.31.32,25:26:35.29.30:32,THB:28:29:32:36.27.26,28:27:35.29.30:32,26:31:35:36.28.27,(4.17,-28.53,;5.5,-29.31,;5.49,-30.84,;4.16,-31.61,;6.83,-31.62,;8.17,-30.86,;9.49,-31.63,;9.49,-33.17,;8.16,-33.94,;6.83,-33.17,;10.81,-33.94,;12.15,-33.18,;13.48,-33.95,;13.47,-35.49,;12.14,-36.26,;12.14,-37.8,;10.81,-35.48,;14.8,-36.27,;14.8,-37.81,;16.14,-38.58,;17.47,-37.81,;17.47,-36.26,;16.13,-35.5,;18.8,-35.49,;18.79,-33.95,;20.14,-36.25,;21.46,-35.48,;21.44,-33.95,;22.42,-32.65,;23.84,-33.18,;23.88,-34.76,;22.87,-36.02,;24.21,-35.51,;24.16,-34.03,;25.64,-34.42,;25.33,-32.72,;22.83,-33.57,)|

BDBM50550255

C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(nc1)C(C)(C)O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(39.23,-39.73,;39.23,-38.2,;37.9,-37.42,;37.9,-35.88,;39.24,-35.12,;40.56,-35.88,;40.56,-37.42,;41.89,-38.2,;41.89,-39.74,;43.22,-40.51,;44.56,-39.74,;44.55,-38.2,;43.22,-37.43,;45.88,-37.42,;45.88,-35.88,;47.22,-38.18,;48.55,-37.41,;48.52,-35.88,;49.5,-34.58,;50.92,-35.11,;50.96,-36.7,;49.96,-37.95,;51.29,-37.44,;51.25,-35.96,;52.72,-36.35,;52.41,-34.66,;49.91,-35.5,;36.57,-35.11,;36.58,-33.57,;35.25,-32.79,;33.92,-33.56,;33.92,-35.11,;35.25,-35.87,;32.58,-32.78,;31.81,-31.44,;33.35,-31.44,;31.25,-33.55,)|

BDBM50550260

C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(11.63,-22.2,;11.63,-20.66,;10.3,-19.89,;10.3,-18.35,;11.64,-17.58,;12.96,-18.35,;12.96,-19.89,;14.29,-20.67,;14.29,-22.21,;15.62,-22.98,;16.96,-22.21,;16.96,-20.66,;15.62,-19.9,;18.29,-19.89,;18.28,-18.35,;19.62,-20.65,;20.95,-19.88,;20.93,-18.35,;21.91,-17.05,;23.33,-17.58,;23.37,-19.16,;22.36,-20.42,;23.7,-19.91,;23.65,-18.43,;25.13,-18.82,;24.82,-17.12,;22.31,-17.97,;8.97,-17.57,;8.98,-16.03,;7.65,-15.26,;6.32,-16.02,;6.32,-17.57,;7.65,-18.34,;4.98,-15.24,;3.65,-16.02,;4.21,-13.91,;5.75,-13.9,)|

BDBM50550263

C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1F)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(37.25,-23.6,;37.25,-22.06,;35.92,-21.28,;35.92,-19.74,;37.26,-18.98,;38.59,-19.75,;38.58,-21.29,;39.91,-22.07,;39.91,-23.61,;41.25,-24.38,;42.58,-23.61,;42.58,-22.06,;41.24,-21.3,;43.91,-21.28,;43.9,-19.74,;45.25,-22.05,;46.58,-21.27,;46.55,-19.75,;47.53,-18.44,;48.95,-18.98,;48.99,-20.56,;47.99,-21.82,;49.32,-21.31,;49.28,-19.82,;50.75,-20.21,;50.44,-18.52,;47.94,-19.37,;34.6,-18.97,;34.6,-17.43,;33.27,-16.65,;31.94,-17.42,;31.94,-18.97,;33.27,-19.73,;33.26,-21.27,;30.6,-16.64,;29.27,-17.41,;29.82,-15.3,;31.37,-15.3,)|

BDBM50134771

Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1

BDBM50550593

CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O

BDBM50081717

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(Cl)cc1

BDBM50551090

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(cc1)-c1c[nH]nn1

BDBM50551091

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(cc1)C#C

BDBM50551092

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(cc1)-c1cn(CCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1

BDBM50551093

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(cc1)-c1cn(CCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1

BDBM50551094

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(cc1)-c1cn(CCCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1

BDBM50551095

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(cc1)-c1cn(CCCCCCCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1

BDBM50551096

[N-]=[N+]=NCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

BDBM50551097

[N-]=[N+]=NCCCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

BDBM50551098

[N-]=[N+]=NCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

BDBM50551099

[N-]=[N+]=NCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

BDBM50551100

[H][C@@]12Cn3cc(C(=O)NCc4ccc5nonc5c4)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|

BDBM50551101

[H][C@@]12Cn3cc(C(=O)NCc4ccc(F)nc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|

BDBM50318484

CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

BDBM50552391

C[C@@H](Nc1c(Cl)c(C)nc2cc(F)c(nc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N |r|

BDBM50552915

C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|

BDBM50553246

Cc1c(ccc2c3ocnc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F

BDBM50553247

Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F

BDBM50553248

Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1

BDBM50553249

Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1

BDBM50553250

[H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r|

BDBM50458163

CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|

BDBM50553436

CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1

BDBM50553584

[H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r|

BDBM50106515

c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3

BDBM357629

Nc1cc(Cc2ccccc2)c2nn[nH]c2n1

BDBM50534361

CCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1

BDBM50554075

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2C(C)(C)C)n1

BDBM50554076

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2C2CCC2)n1

BDBM50554085

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCF)n1

BDBM50554088

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCO)n1

BDBM50554089

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCCO)n1

BDBM50554090

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CC(C)(C)O)n1

BDBM50554093

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2cc(nn2C(C)C)C(C)(C)C)n1

BDBM50554095

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2cc(nn2CCF)C(C)(C)C)n1

BDBM50554096

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2cc(nn2CC(F)(F)F)C(C)(C)C)n1

BDBM50554098

CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1)C1(C)CC1

BDBM50554099

CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1)C(F)(F)F

BDBM50554102

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2C)n1

BDBM50554103

CCn1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1

BDBM50554107

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CCF)n1

BDBM50554108

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CC(F)(F)F)n1

BDBM50554109

COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CCO)n1

BDBM50554110

CCn1nc2c(CCC2(C)C)c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1

BDBM50554111

CCn1nc2c(C(C)CC2(C)C)c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1

BDBM50554112

CCn1nc2CCCCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1

BDBM50554460

c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl

BDBM50554790

CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r|

BDBM50555105

CC(=O)N1CCN(CCOCc2ccn(n2)-c2ccc(F)c(F)c2)CC1

BDBM50555231

C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl

BDBM50555233

[H][C@]12CN([C@H](F)CC1)C(=O)N2OS([O-])(=O)=O |r|

BDBM50555364

Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F

BDBM50555365

Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r|

BDBM50555366

Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F

BDBM50555367

Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br

BDBM50555368

Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F

BDBM329000

CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|

BDBM50555406

C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|

BDBM50555408

N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(cn2)C2CC2)cn1 |r|

BDBM50555409

Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|

BDBM328993

FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|

BDBM415702

COc1ccc(cc1)C(Oc1ccc(N(CC(O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)C(O)=O

BDBM50117772

CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

BDBM50557766

Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1

BDBM50557897

Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:27.31,wD:24.24,(38.6,-28.72,;38.6,-30.26,;37.27,-31.03,;37.27,-32.58,;38.61,-33.35,;39.94,-32.58,;41.29,-33.35,;41.29,-34.89,;39.96,-35.66,;38.63,-34.89,;37.3,-35.66,;37.3,-37.2,;38.64,-37.97,;39.97,-37.19,;41.31,-37.96,;42.65,-38.72,;38.65,-39.51,;37.25,-40.21,;40.24,-39.64,;38.49,-40.96,;42.63,-32.57,;43.97,-33.34,;42.62,-31.01,;43.96,-30.24,;45.29,-31.01,;45.29,-32.55,;46.62,-33.32,;47.95,-32.55,;47.95,-31.01,;46.61,-30.23,;49.28,-33.32,;50.62,-32.55,;49.28,-34.86,;41.27,-30.24,;41.27,-28.69,;39.94,-31.02,)|

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM50558816

[O-][N+](=O)c1ccc(F)c(c1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

BDBM50558880

NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1 |r|

BDBM50558881

NC[C@H](NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1nc(CO)cs1 |r|

BDBM50558981

FC(F)(F)Oc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1

BDBM50559199

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(OCC#CC#CCOc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r|

BDBM50559204

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@@H](CC3)Nc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r,wU:43.44,50.60,2.2,26.30,wD:54.57,14.15,7.78,23.23,(29.4,-55.7,;28.95,-57.18,;27.45,-57.52,;27,-58.99,;26.4,-56.39,;26.85,-54.92,;24.9,-56.74,;23.85,-55.61,;22.35,-55.95,;21.83,-57.4,;21.36,-54.78,;21.73,-53.28,;20.42,-52.47,;19.25,-53.46,;19.83,-54.89,;19.01,-56.19,;19.74,-57.55,;17.47,-56.14,;16.66,-57.45,;15.12,-57.4,;14.31,-58.7,;12.77,-58.64,;11.86,-57.4,;10.32,-57.57,;9.41,-56.32,;7.88,-56.49,;7.27,-57.89,;8.17,-59.14,;9.7,-58.98,;5.73,-58.06,;4.82,-56.81,;3.29,-56.94,;2.41,-55.66,;3.08,-54.27,;4.62,-54.15,;5.28,-52.77,;6.81,-52.65,;7.47,-51.26,;6.6,-49.99,;7.68,-53.93,;9.22,-53.81,;9.89,-52.42,;9.02,-51.15,;11.42,-52.31,;12.42,-53.48,;13.84,-52.89,;13.73,-51.35,;12.23,-50.99,;11.64,-49.57,;10.11,-49.36,;12.58,-48.35,;11.99,-46.92,;12.93,-45.7,;14.46,-45.91,;12.34,-44.28,;10.82,-44.08,;13.28,-43.06,;14.81,-43.26,;14.11,-48.55,;14.4,-47.03,;15.57,-48.05,;14.69,-49.97,;7.01,-55.31,;5.48,-55.43,;11.95,-59.94,;12.67,-61.31,;14.21,-61.37,;15.02,-60.06,;16.56,-60.12,;17.39,-58.82,;18.92,-58.87,;19.65,-60.23,;24.3,-54.13,;25.25,-52.91,;25.84,-54.34,;23.25,-53.01,)|

BDBM50559296

C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|

BDBM50559301

C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|

BDBM50559579

Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1

BDBM50559580

Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1

BDBM50559616

Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CN2CCC(CC2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(21.06,-7.5,;21.06,-9.04,;19.74,-9.81,;19.73,-11.36,;18.4,-12.13,;17.07,-11.36,;17.07,-9.81,;15.75,-9.04,;14.41,-9.8,;14.41,-11.34,;15.74,-12.12,;13.08,-9.02,;13.09,-7.48,;11.74,-9.79,;11.74,-8.25,;21.07,-12.13,;21.07,-13.67,;22.41,-14.44,;22.4,-15.98,;23.73,-16.74,;25.07,-15.98,;25.07,-14.43,;23.73,-13.66,;26.4,-16.75,;27.74,-15.98,;26.4,-18.29,;22.4,-11.35,;23.74,-12.12,;25.07,-11.34,;25.06,-9.79,;23.72,-9.03,;22.4,-9.81,)|

BDBM50559669

CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)|

BDBM50560039

[H][C@@]12COc3cc(N4CCSCC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|

BDBM50560259

CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(ccc2C)C(=O)NC2CC2)c1=O

BDBM436696

Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F

BDBM50560855

[H][C@]12N(C)c3cccc(OC)c3C(=O)N1CCc1c2[nH]c2cc(OC)ccc12 |r|

BDBM50560869

Nc1nc(c(F)cc1F)-n1cc(C(O)=O)c(=O)c2cc(F)c([C@H]3C[C@H](O)C3)c(Cl)c12 |r,wU:22.22,wD:24.25,(11.76,-13.75,;13.09,-12.98,;13.09,-11.44,;14.42,-10.67,;15.75,-11.43,;17.08,-10.65,;15.76,-12.96,;14.42,-13.74,;14.43,-15.28,;14.42,-9.13,;15.75,-8.36,;15.75,-6.81,;17.07,-6.03,;18.41,-6.79,;17.07,-4.49,;14.41,-6.05,;14.4,-4.51,;13.08,-6.82,;11.75,-6.06,;10.42,-6.83,;9.09,-6.06,;10.42,-8.37,;9.08,-9.14,;8.68,-10.63,;7.19,-10.23,;5.86,-11,;7.59,-8.74,;11.75,-9.14,;11.75,-10.68,;13.08,-8.37,)|

BDBM50560870

Nc1nc(c(F)cc1F)-n1cc(C(O)=O)c(=O)c2cc(F)c([C@@H]3C[C@H](O)C3)c(Cl)c12 |r,wU:22.22,24.25,(33.32,-14.27,;34.66,-13.5,;34.65,-11.96,;35.99,-11.19,;37.32,-11.95,;38.65,-11.17,;37.33,-13.49,;35.99,-14.27,;36,-15.81,;35.99,-9.65,;37.32,-8.88,;37.31,-7.33,;38.64,-6.55,;39.98,-7.31,;38.63,-5.01,;35.98,-6.57,;35.97,-5.03,;34.65,-7.34,;33.32,-6.58,;31.99,-7.35,;30.65,-6.58,;31.98,-8.89,;30.65,-9.66,;29.16,-9.26,;28.76,-10.75,;27.42,-11.52,;30.25,-11.15,;33.32,-9.66,;33.32,-11.2,;34.65,-8.89,)|

BDBM50560871

NC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)-c1nc(N)c(F)cc1F

BDBM21690

c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

BDBM50560872

c1c2c(c(c(c1F)N3CC(C3)O)Cl)N(C=C(C2=O)C(=O)O)c4c(cc(c(n4)N)F)F

BDBM50124010

CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O

BDBM390098

Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM50357312

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM50561764

CNC(=O)NC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1 |r|

BDBM50561837

C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]cc(-c3ccncc3)c2c1 |r|

BDBM50125260

Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1

BDBM50562211

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(c1)N1CCN(C)CC1

BDBM50562212

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cc(Cl)cc(c1)N1CCN(C)CC1

BDBM50562213

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(c1)N1CCOCC1

BDBM50562214

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(cc1)N1CCN(C)CC1

BDBM50562215

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2cc[nH]c2c1

BDBM50562216

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2[nH]cnc2c1

BDBM50562217

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc2[nH]ncc2c1

BDBM50562218

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc2ncccc2c1

BDBM50562219

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc2ccccc2n1

BDBM50562220

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1c[nH]c2ncccc12

BDBM50562221

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1c[nH]c2ccccc12

BDBM50562222

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cc2ccccc2o1

BDBM50562223

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccco1

BDBM50562224

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccs1

BDBM50562225

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cscn1

BDBM50562226

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccnnc1

BDBM50562227

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccnc1

BDBM50562228

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccncc1

BDBM50562229

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccccn1

BDBM50562230

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(F)c1

BDBM50562231

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(Br)c1

BDBM50562232

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cncc(C)c1

BDBM50562233

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(N)c1

BDBM50562234

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cncc(c1)C(O)=O

BDBM50562235

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cncc(O)c1

BDBM50562236

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(N)nc1

BDBM50562237

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(O)nc1

BDBM50562238

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccnc1O

BDBM50562239

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccnc1N

BDBM50562240

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccnc1Br

BDBM50562241

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(F)c1

BDBM50562242

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(Cl)c1

BDBM50562243

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(Br)c1

BDBM50562244

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(O)c1

BDBM50562245

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(N)c1

BDBM50562246

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccncc1N

BDBM50562247

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(N)n1

BDBM50562248

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(O)n1

BDBM50562249

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(C)n1

BDBM50562250

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(F)n1

BDBM50562251

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cccc(Cl)n1

BDBM50562252

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(Cl)cn1

BDBM50562253

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1cc(Cl)ccn1

BDBM50562254

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(F)cn1

BDBM50562255

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(Br)cn1

BDBM50562256

COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(N)cn1

BDBM50562617

Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1

BDBM50562615

c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N

BDBM50029668

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12

BDBM183200

CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F

BDBM50563052

CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl

BDBM50563889

COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1

BDBM50563973

COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|

BDBM50564895

COc1ccc2cc(oc2c1)C(=O)NCCN(C)C

BDBM50565928

C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|

BDBM50565929

C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F

BDBM50565986

[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC

BDBM50566257

C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|

BDBM50566354

CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1

BDBM50566405

OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O

BDBM50566497

CCC(C)(C)C(O)=O

BDBM50566631

CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N(C)CCN(C)C |(19.35,-45.17,;18.02,-45.94,;18.02,-47.48,;16.7,-48.25,;16.7,-49.79,;15.37,-50.56,;14.04,-49.79,;12.7,-50.56,;11.37,-49.79,;11.37,-48.26,;12.7,-47.47,;14.03,-48.25,;10.03,-47.49,;10.03,-45.95,;8.7,-48.27,;7.37,-47.5,;6.04,-48.28,;4.7,-47.51,;3.37,-48.28,;3.37,-49.83,;4.7,-50.6,;6.04,-49.83,;7.37,-50.59,;8.14,-49.26,;8.91,-50.58,;7.38,-52.13,;18.03,-50.56,;19.37,-49.79,;19.37,-48.25,;20.7,-50.56,;20.7,-52.1,;22.03,-49.79,;23.37,-50.56,;24.7,-49.79,;26.03,-50.57,;24.7,-48.25,)|

BDBM50566632

CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1 |(45.76,-44.82,;44.43,-45.6,;44.44,-47.14,;43.11,-47.91,;43.12,-49.45,;41.78,-50.22,;40.45,-49.45,;39.11,-50.22,;37.79,-49.45,;37.78,-47.91,;39.11,-47.13,;40.45,-47.91,;36.45,-47.15,;36.44,-45.61,;35.12,-47.92,;33.78,-47.16,;32.45,-47.93,;31.11,-47.17,;29.79,-47.94,;29.78,-49.49,;31.12,-50.26,;32.46,-49.48,;33.79,-50.25,;34.55,-48.91,;35.33,-50.24,;33.79,-51.79,;44.45,-50.22,;45.78,-49.45,;45.78,-47.91,;47.11,-50.22,;47.1,-51.76,;48.43,-52.53,;49.77,-51.77,;51.1,-52.55,;49.77,-50.23,;48.44,-49.45,)|

BDBM50566633

CNc1nc(Nc2ccc(cc2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1

BDBM50435763

CNc1nc(nc(n1)N1CCN(C)CC1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F

BDBM50566788

COc1cc-2c(C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCC(O)=O |r|

BDBM301233

CCN1C(=O)N(Cc2cnc3NC(=O)Cc3c12)c1c(F)c(OC)cc(OC)c1F

BDBM301310

CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5

BDBM210070

C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N

BDBM50567966

CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1

BDBM50567967

CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1

BDBM50567991

CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1

BDBM50567995

CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1

BDBM50567998

CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1

BDBM50568682

COc1cc(\C=C\c2nc(NCc3ccc(C)cc3)c3sccc3n2)cc(OC)c1OC

BDBM50028963

O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1

BDBM50568800

COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC

BDBM50569779

CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1

BDBM50134807

CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1

BDBM50570222

COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13

BDBM50570224

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13

BDBM50570225

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13

BDBM50570232

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13

BDBM50570234

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3ccc-2cc13

BDBM50570235

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2nn13

BDBM50570237

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13

BDBM50570238

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ncnc3ccc-2cc13

BDBM50570242

COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13

BDBM50570247

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(Cc3cnc4sc-2nn34)c1

BDBM50570248

COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13

BDBM414250

CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O

BDBM50570328

[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2N[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|

BDBM50136035

CCCCOc1ccccc1-c1ccno1

BDBM50136036

CCCCOc1cccc(c1)-c1ccno1

BDBM50136043

CCCCOc1ccc(cc1)-c1ccncn1

BDBM50136051

CCCCOc1ccc(cc1)-c1ccon1

BDBM50136053

CCCCOc1ccc(cc1)-c1cc[nH]n1

BDBM50136045

CCCCOc1ccc(cc1)-c1ccns1

BDBM50136037

CCCCOc1ccc(cc1)-n1ccnc1

BDBM50136049

CCCCOc1ccc(cc1)-n1ccnc1C

BDBM50136054

CCCCOc1ccc(NC=NO)cc1 |w:11.11|

BDBM50136061

CCCCOc1ccc(cc1)-n1cnc(C)c1

BDBM50136038

CCCCOc1ccc(cc1)-n1cncn1

BDBM50136044

CCCCOc1ccc(cc1)-c1cc(C)[nH]n1

BDBM50136060

CCCCOc1ccc(cc1)-c1cc[nH]c1

BDBM50136062

CCCCOc1ccc(cc1)-c1ccnn1C

BDBM50136059

CCCCOc1ccc(cc1)-c1c[nH]cn1

BDBM50136047

CCCCOc1ccc(cc1)-c1cnccn1

BDBM50106737

CCCCc1ccc(c(c1)C)N/C=NO

BDBM50136048

CCCCOc1ccc(cc1)-c1nnn[nH]1

BDBM50136040

CCCCOc1ccc(cc1)-c1ccccn1

BDBM50136055

CCCCOc1ccc(cc1)-c1cc(C)no1

BDBM50136058

CCCCOc1ccc(cc1)-c1ccno1

BDBM50136041

CCCCOc1ccc(cc1)-c1ncc[nH]1

BDBM50136050

CCCCOc1ccc(cc1)-c1cc[n+](C)[nH]1

BDBM50571528

c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO

BDBM182309

Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F

BDBM182377

NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F

BDBM50138231

C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1

BDBM50138235

CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1

BDBM50138232

C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1

BDBM50138239

CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1

BDBM50138234

CN(C)CCCOc1ccc(cc1)-n1ccnc1

BDBM50138240

CN(C)CCOc1ccc(cc1)-n1ccnc1

BDBM50138236

CCCCCCOc1ccc(cn1)-n1ccnc1

BDBM50138233

C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1

BDBM50138238

C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1

BDBM50138237

C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1

BDBM50138602

Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1

BDBM50138599

Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)ccc2s1

BDBM50138598

Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1

BDBM50138611

CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12

BDBM50572947

C[C@H](N1C2CCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |r,wU:21.22,24.29,1.0,(69.55,-51.11,;69.5,-49.57,;70.79,-48.72,;72.16,-49.41,;72.75,-48.34,;72.21,-47.11,;70.69,-47.18,;71.98,-46.34,;73.36,-47.03,;73.44,-48.57,;74.65,-46.19,;74.56,-44.65,;76.02,-46.88,;68.17,-48.8,;68.16,-47.25,;66.82,-46.49,;65.5,-47.27,;64.16,-46.5,;62.83,-47.27,;62.83,-48.82,;61.5,-49.59,;60.16,-48.82,;58.84,-49.58,;57.5,-48.8,;57.51,-47.26,;58.85,-46.5,;60.17,-47.27,;56.18,-46.48,;56.19,-44.94,;54.84,-47.25,;54.83,-45.71,;64.17,-49.59,;65.5,-48.81,;66.84,-49.58,;64.17,-51.13,;62.84,-51.9,;65.51,-51.9,;64.16,-52.66,)|

BDBM50573351

CC(C)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:31,t:12,14|

BDBM50573354

FC(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:32,t:13,15|

BDBM50573355

CC(F)(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|

BDBM50573801

CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1

BDBM50573869

Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1

BDBM50573876

Fc1cccc(c1)C(=O)C(Cn1ccnc1)NC(=O)c1ccc(s1)-c1ccc(Cl)cc1

BDBM50573877

Cc1ccc(cc1)C(=O)C(Cn1ccnc1)NC(=O)c1ccc(s1)-c1ccc(Cl)cc1

BDBM50574913

Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCSCc12

BDBM50502393

CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C

BDBM50575029

CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C

BDBM50575152

[#6]-[#8]-c1c(-[#8]-[#6]-c2ccc(F)cc2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]\[#6]=[#6]\[#6](-[#8])=O)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:24|

BDBM50575173

CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r|

BDBM50575222

CCN(C(=O)C1CC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1C)N1CCN(CC2CC2)CC1

BDBM50575236

Cc1c(nnn1-c1ccccn1)C(=O)Nc1ccc2COB(O)c2c1

BDBM50575900

CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|

BDBM447507

COc1ccc(cc1F)-c1ccc(CO[C@H]2C[C@H](C2)N=C=S)nc1 |r,wU:15.15,17.20,(-9.61,.5,;-8.28,-.27,;-6.94,.5,;-5.61,-.27,;-4.28,.5,;-4.28,2.04,;-5.61,2.81,;-6.94,2.04,;-8.28,2.81,;-2.94,2.81,;-1.61,2.04,;-.28,2.81,;-.28,4.35,;1.06,5.12,;2.39,4.35,;3.72,5.12,;4.12,6.61,;5.61,6.21,;5.21,4.73,;6.94,6.98,;8.28,7.75,;9.61,8.52,;-1.61,5.12,;-2.94,4.35,)|

BDBM50576849

CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C

BDBM50577263

[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|

BDBM50577582

[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(68.73,-15.28,;67.41,-14.52,;66.06,-13.77,;66.06,-12.22,;67.4,-11.45,;68.74,-12.22,;68.74,-13.75,;67.4,-9.91,;68.73,-9.14,;70.06,-9.9,;71.38,-9.13,;72.72,-9.89,;74.05,-9.11,;75.39,-9.89,;75.39,-11.43,;74.05,-12.2,;72.72,-11.43,;71.39,-12.21,;70.06,-11.44,;67.41,-16.06,;68.75,-16.82,;66.09,-16.84,;66.09,-18.38,;67.43,-19.14,;68.76,-18.36,;67.43,-20.69,;66.1,-21.46,;64.77,-20.69,;63.43,-21.47,;62.1,-20.7,;62.1,-19.16,;60.77,-18.39,;60.77,-16.85,;63.43,-18.39,;64.77,-19.15,)|

BDBM50578131

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

BDBM50578687

Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1ccccc1F |c:18|

BDBM50578688

Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1cccc(F)c1 |c:18|

BDBM50578785

COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wD:3.3,(18.9,-27.84,;18.43,-29.3,;19.46,-30.45,;18.99,-31.91,;17.49,-32.24,;20.03,-33.05,;21.55,-32.89,;22.18,-34.29,;21.04,-35.32,;21.06,-36.86,;19.72,-37.64,;18.39,-36.87,;17.06,-37.65,;15.72,-36.88,;14.39,-37.65,;12.99,-37.03,;12.67,-35.52,;11.95,-38.17,;12.72,-39.5,;14.23,-39.18,;15.38,-40.21,;15.72,-35.33,;14.39,-34.56,;14.39,-33.02,;17.05,-34.56,;18.39,-35.33,;19.71,-34.55,;22.32,-31.55,;23.85,-31.54,;24.62,-30.22,;23.85,-28.88,;22.31,-28.88,;21.53,-30.22,)|

BDBM50579346

Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1

BDBM50579542

COc1ccc(cc1OC(C(C)C)C(=O)NO)N(C)c1nc(C)nc2ccccc12

BDBM50579806

CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C

BDBM50580221

C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|

BDBM271626

C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|

BDBM50580225

C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|

BDBM50580450

C[C@@H]1CC2C(Nc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|

BDBM50580482

C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(O)=O |r|

BDBM50404281

C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1

BDBM50148690

OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1

BDBM50148692

CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1

BDBM50148694

CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1

BDBM50580779

Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1

BDBM50581127

FC(F)(F)c1cccc2nc3C(=O)N(CC4CCC4)CCn3c12

BDBM50581177

C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3

BDBM50581356

Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCOC[C@@H]3c2c1 |r|

BDBM50507492

C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2

BDBM374727

C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C

BDBM50581550

C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1

BDBM50581551

CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|

BDBM50581552

CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|

BDBM50581559

[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2cn(CCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc3cccc(Cl)c3)nn2)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 |r|

BDBM507762

CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3

BDBM50581711

CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3

BDBM50581712

CCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12

BDBM50581713

CCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12

BDBM50582292

CN1CCC(CC1)NC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582293

O=C(NC1CNC1)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582294

O=C(NCCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582295

CN(C)CCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582296

F[C@@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|

BDBM50582297

F[C@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|

BDBM50582298

CN1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)CC1

BDBM50582299

O=C(NCCN1CCCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582300

CCN(CC)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582301

CN(C)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582302

CNCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582303

NCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582304

OCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582305

O=C(NCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O

BDBM50582885

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F

BDBM50582976

Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2NC(=O)CC3(CCOCC3)Oc2c1

BDBM50583004

Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1ccc2NC(=O)CC3(CCOCC3)Oc2c1

BDBM50583315

COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30|

BDBM50393084

C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|

BDBM50583442

Cc1cnc(Nc2cnn(c2)C(F)F)nc1N1CCC2(CCNC2=O)CC1

BDBM50583952

Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1cc2ccc(Cl)cc2s1 |c:18|

BDBM50583953

Clc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1cc2ccc(Cl)cc2s1 |c:18|

BDBM50584007

NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|

BDBM50584645

Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1

BDBM50584630

Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1

BDBM50584863

Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1

BDBM50584891

[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|

BDBM50584889

[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|

BDBM50308135

CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1

BDBM50585541

NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|

BDBM50585805

CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|

BDBM50585813

CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC

BDBM311267

CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|

BDBM50586188

C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2ncccc2[nH]1

BDBM50586189

C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2cnccc2[nH]1

BDBM50586210

C[C@@H](NC(=O)c1ncn2C[C@H](C)N(Cc12)C(=O)Nc1ccc(F)c(c1)C#N)C(F)(F)F |r|

BDBM50586289

Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|

BDBM50586299

Cn1nccc1Nc1ncc(Cl)c(n1)-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|

BDBM50586337

C[C@@H]1CN(C[C@H](N1)C)C(=O)[C@H](C)N2CCC(CC2)N3c4ccccc4NC3=O

BDBM465748

Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|

BDBM296886

Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|

BDBM296947

Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|

BDBM50588525

COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1

BDBM50588528

Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(F)cc3)cc12)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1

BDBM276748

CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO

BDBM276750

CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r|

BDBM50588800

Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCC=CCC2)cc1Cl |c:25|

BDBM50588805

CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1

BDBM31772

c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl

BDBM406663

Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1

BDBM50589371

OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)C2COc3ccccc3O2)o1

BDBM50589384

CCc1ccc(CC(=O)NCC2COc3ccccc3O2)cc1

BDBM50589387

O=C(Cc1ccc(cc1)-c1ccccc1)NCC1COc2ccccc2O1

BDBM50589443

Cc1cc(N)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(N)(=O)=O

BDBM50589669

Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C

BDBM50589680

Cc1c(ccc(n1)NC(=O)NC(=O)C(C)(C)C)Oc2ccnc(c2)c3cnn(c3)C

BDBM50589703

NCC(=C/F)[C@H]1Cc2ccccc2O1

BDBM50590049

[H][C@]12CN(CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2)C(=O)C1(CC1)C#N |r|

BDBM50590061

[H][C@]12CN(CC(F)(F)F)CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2 |r|

BDBM50590050

C[C@@H](Nc1nc(C)nc2cc(O)c(O[C@H]3CCOC3)cc12)c1cc(N)cc(c1)C(F)(F)F |r|

BDBM50162773

CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C

BDBM50590873

FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1

BDBM408746

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F

BDBM408717

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F

BDBM528084

COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F

BDBM50591456

CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1

BDBM50591479

CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1

BDBM50063995

CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O

BDBM50592250

COc1nc(ccc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12)-c1ccc(Cl)cc1 |r|

BDBM50592580

C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|

BDBM50592581

C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|

BDBM50592720

Cc1cccc(c1)-c1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc(c1)C#N

BDBM50420191

CCOc1ccc(cc1)NC(=O)C

BDBM50592756

CCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |r|

BDBM50592780

CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1

BDBM50592781

CC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1

BDBM328391

COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12

BDBM372346

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20|

BDBM50593319

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1C

BDBM50593320

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F

BDBM50594406

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F

BDBM50594408

[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|

BDBM518192

COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|

BDBM50168397

CONC(=O)c1cc(Nc2ncnn3cc(-c4ncc(C)o4)c(C(C)C)c23)c(F)cc1F

BDBM50595569

[H][C@@]12CC[C@@]([H])(C1)[C@]1(ON=C(c3cccnc3)[C@@]21[H])C(=O)Nc1ccc2[nH]ncc2c1 |r,t:10|

BDBM312244

NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;HN;;;;;;$|

BDBM312172

C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$|

BDBM50595667

C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|

BDBM50171277

OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)|

BDBM50171280

OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)|

BDBM50171282

NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)|

BDBM50241125

OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)|

BDBM50596231

Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|

BDBM50596232

C(Nc1ccc(nn1)-c1ccccc1)[C@@H]1CC11CCN(CC2CCOCC2)CC1 |r|

BDBM50596236

Fc1ccc(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|

BDBM50596237

Fc1cc(F)c(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|

BDBM50596238

Cn1cc2cc(ccc2n1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|

BDBM50596239

CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|

BDBM50596438

CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1

BDBM50171971

CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12

BDBM50171976

CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12

BDBM50172117

C1CCC(=CC1)C#Cc1ccccn1 |c:3|

BDBM50172118

Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|

BDBM50172119

Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|

BDBM50172128

C1CCC(C1)NC1CCC(=CC1)C#Cc1ccccn1 |c:10|

BDBM50172122

O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13|

BDBM50172131

C1CC(Oc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|

BDBM50172126

Cc1cccc(c1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|

BDBM50172132

C1CC=C(C1)C#Cc1ccccn1 |c:2|

BDBM50172130

C1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|

BDBM50172135

O=S(=O)(Cc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|

BDBM50172127

C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2|

BDBM50172125

C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1 |c:2|

BDBM50172124

C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1 |c:16|

BDBM50172129

CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:10|

BDBM50172120

C1CCC(CC1)C#Cc1ccccn1

BDBM50172123

Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11|

BDBM50172137

C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|

BDBM50172134

C1CC(=CCN1)C#Cc1ccccn1 |c:2|

BDBM50172121

C1CC(Sc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|

BDBM50172136

O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|

BDBM50410445

C1CC(C=C(C1)C#Cc1ccccn1)N1CCOCC1 |c:3|

BDBM50410444

O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12 |c:7|

BDBM50201124

Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1

BDBM27879

Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O)NC[C@H](c4cccc(c4)Cl)O)N5CCOCC5

BDBM50172460

CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O

BDBM139370

CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C3CCN(CC3)C

BDBM50596723

CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1

BDBM50597064

COc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N

BDBM50597430

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|

BDBM50597471

COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccnc(F)c1 |r|

BDBM50597475

COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@@H](C[C@H]1C)c1ccncc1 |r|

BDBM50597483

COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(CC1)c1ccncc1 |r|

BDBM50597496

COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|

BDBM50597489

COc1cc(F)cc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|

BDBM50597494

COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccnc(F)c1 |r|

BDBM50597569

Cc1cc(=O)n(c(C)n1)-c1ccc(N2CCC(Cc3ccc(Cl)c(F)c3)CC2)c(Cl)c1

BDBM50598090

COc1ccc(OCc2nn3c(nnc3s2)-c2ccc(Br)cc2)cc1

BDBM50598128

Cc1ccc2c(Nc3cc([nH]n3)C3CC3)nc(NCc3ccc(F)cc3F)nc2c1

BDBM50598416

CC(C)Sc1nc(C(C#N)c2c(F)cccc2F)c(C)c(=O)[nH]1

BDBM50598913

CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(ccnc3Cl)C)F)CO

BDBM50598923

CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(cnc(c3Cl)OC)C)F)CO

BDBM394530

C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|

BDBM50598989

CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|

BDBM50598992

CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|

BDBM50598993

CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|

BDBM50598999

CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|

BDBM50599003

CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|

BDBM50599208

CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C)n1

BDBM50599209

CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C(C)=O)n1

BDBM50599476

c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl

BDBM50600093

Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(=O)CC3(CCOCC3)Oc2c1

BDBM50600100

Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(=O)NC3(CCOCC3)Oc2c1

BDBM50600340

CC\C(=C(/c1[nH]c2ccccc2c1Cl)c1ccc(\C=C\C(O)=O)cc1)c1ccc(F)cc1Cl

BDBM50600524

[H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cc3)N=S(C)(C)=O)[C@@]1([H])OC[C@H]2O |r|

BDBM50600526

[H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cn3)N=S(C)(C)=O)[C@@]1([H])OC[C@H]2O |r|

BDBM50600846

Cn1cc2c3cc(ccc3n(-c3ccc(cc3)C(F)(F)F)c2n1)C(O)=O

BDBM50600975

[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](NC(=O)CNC)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)NCCN)O2

BDBM50601513

Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F

BDBM50601844

CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3sc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|

BDBM295665

C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|

BDBM50334986

CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|

BDBM50602354

[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nc3CN(CCc13)C(=O)C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:9:7:3.2:24|

BDBM50602355

[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nc3CN(CCc13)C(C)=O)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:9:7:3.2:22|

BDBM50602416

C[C@@H](c1cn(nn1)-c1ccc(Cl)cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|

BDBM103727

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

BDBM570071

FC1(CC1)C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(5.13,9.05,;4.36,7.71,;4.36,6.17,;5.77,7.09,;3.12,8.62,;3.28,10.15,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|

BDBM50602423

FC1(F)C[C@H]1C(=O)N[C@H]1CC[C@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,8.8,4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;2.9,1.72,;2.9,.18,;1.57,-.59,;.23,.18,;.23,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|

BDBM50602426

FC1(F)C[C@H]1C(=O)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|

BDBM50602427

FC1(F)C[C@H]1C(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|

BDBM50602433

O=C(CC#N)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12

BDBM50602437

FC1(F)C[C@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|

BDBM50183183

OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1

BDBM50183228

C[C@H]([C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C

BDBM50183226

C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C

BDBM50183224

CC[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C

BDBM50183230

C[C@H]([C@@H](c1ccc2cc(OCC3(CCCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C

BDBM50183231

CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1

BDBM50602541

C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|

BDBM50602665

CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|

BDBM50602666

CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCC(C)C)nc12 |r|

BDBM50603411

CC(C)(C(=O)O)Sc1nc2c(n1Cc3ccc(c4c3cccc4)Br)cccn2

BDBM50604007

OCCCn1cc(CNc2nc(NC3CCN(CCP(O)(O)=O)CC3)cc(n2)N2CCOCC2)nn1

BDBM50604074

Fc1cccc(F)c1CC1(Cn2ccnc2)COC(=N1)c1ccc(cc1)-c1ccsc1 |c:20|

BDBM50604075

Fc1cccc(F)c1CC1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1ccsc1 |c:20|

BDBM50604138

COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|

BDBM311208

COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|

BDBM311268

CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|

BDBM50604466

CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c12)C(N)=O)C(N)=O

BDBM50604573

CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|

BDBM50604569

CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|

BDBM50604565

CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1

BDBM50186088

CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|

BDBM50186618

NC(=O)c1sc(cc1N)-c1ccc(F)cc1

BDBM50186633

NC(=O)c1nc(oc1N)-c1ccc(cc1)C(F)(F)F

BDBM50186625

NC(=O)c1sc2ncccc2c1N

BDBM50186619

NC(=O)c1sc(cc1N)-c1ccccc1

BDBM50186624

Cc1cc(C)c2c(N)c(sc2n1)C(N)=O

BDBM50186616

NC(=O)c1nc(oc1N)-c1ccccc1

BDBM50605085

Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|

BDBM50187673

COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1

BDBM601033

FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1

BDBM50605868

Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1

BDBM50606047

Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br

BDBM50606048

Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|

BDBM50606174

[H][C@@]12CN(c3cc(OC)c(cc3NC(=O)C#CC)-c3cc4n(CC)c(=O)c(cc4cn3)-c3c(Cl)c(OC)cc(OC)c3Cl)[C@@]([H])(CO1)C2 |r,wU:43.47,1.0,(-10.43,2.76,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-3.99,3.85,;-2.66,3.08,;-1.33,3.85,;0,3.08,;-2.66,1.54,;-3.99,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,-1.54,;-9.34,-2.3,;-10.68,-3.06,;-1.33,.77,;0,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4.01,3.85,;4.01,.77,;5.34,1.54,;4.01,-.77,;2.67,-1.54,;1.33,-.77,;0,-1.54,;-1.33,-.77,;5.34,-1.54,;6.67,-.77,;6.67,.77,;8.01,-1.54,;9.34,-.77,;10.68,-1.54,;8.01,-3.08,;6.67,-3.85,;6.67,-5.39,;8.01,-6.16,;5.34,-3.08,;4.01,-3.85,;-6.67,5.39,;-5.33,6.16,;-8,6.16,;-9.34,5.39,;-8.24,4.94,)|

BDBM50575072

COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)ncc2c1 |r|

BDBM50606309

CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r|

BDBM50606310

[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|

BDBM50606311

[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC1CC1)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|

BDBM50606312

[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC1C2COCC12)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|

BDBM50606313

[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC1CCC(CC1)OC)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r,wU:11.13,1.0,3.4,wD:38.42,(3.08,-1.58,;2,-2.67,;3.33,-3.45,;2,-4.22,;3.48,-4.62,;.66,-5,;-.68,-4.22,;-.68,-2.67,;.66,-1.91,;.66,-.37,;1.99,.4,;-.67,.4,;-.67,1.94,;.66,2.71,;.66,4.25,;-.67,5.02,;-.67,6.56,;.66,7.33,;1.99,6.56,;1.99,5.02,;.66,8.87,;-.67,9.64,;-2.01,-.37,;-2,-1.91,;-3.34,-2.68,;-4.67,-1.92,;-6.01,-2.69,;-4.68,-.37,;-3.34,.4,;.66,-6.54,;-.68,-7.32,;-.68,-8.87,;.66,-9.64,;2,-8.87,;3.33,-9.64,;4.67,-8.87,;6.01,-9.64,;4.67,-7.32,;3.33,-6.54,;3.33,-5,;2,-7.32,)|

BDBM50606314

[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CN)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|

BDBM50189987

O=C(Nc1ccc2cccnc2c1)c1ccc(nc1)-c1ccccc1

BDBM50190529

CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc3occc3c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

BDBM50190528

CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

BDBM50191163

Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O

BDBM50404833

Cc1ccncc1-c1ccnc2n(ncc12)-c1ccccc1

BDBM50404834

Cc1ccncc1-c1ccnn2c(ccc12)-c1ccccc1

BDBM183395

Cc1ccncc1-c1ccnn2c(cnc12)-c1ccccc1

BDBM50404835

Cc1ccncc1-c1cccc2c(cnn12)-c1ccccc1

BDBM50404839

Cc1ccncc1-c1cccc2c(csc12)-c1ccccc1

BDBM50404842

Cc1ccncc1-c1ccnc2c(csc12)-c1ccccc1

BDBM50404843

Cc1ccncc1-c1ccnc2c(noc12)-c1ccccc1

BDBM144614

Cc1ccncc1-c1cccc2c(noc12)-c1ccccc1

BDBM50404844

Cc1ccncc1-c1cccc2N(CCOc12)c1ccccc1

BDBM50404845

Cc1ccncc1-c1ccnc2n(C)ncc12

BDBM50404847

Cc1ccncc1-c1ccnc2n(ncc12)C(C)(C)C

BDBM50405180

Cc1ccncc1-c1ccnc2n(CC(F)(F)F)ncc12

BDBM50405181

Cc1ccncc1-c1ccnc2n(ncc12)-c1nccs1

BDBM50405182

Cc1ccncc1-c1ccnc2n(Cc3ccc(F)cc3)ncc12

BDBM50405183

Cc1ccncc1-c1ccnc2n(ncc12)-c1cccc(F)c1

BDBM50405184

COc1cccc(c1)-n1ncc2c(ccnc12)-c1cnccc1C

BDBM50405185

Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)c(Cl)c1

BDBM50405186

COc1ccccc1-n1ncc2c(ccnc12)-c1cnccc1C

BDBM50405187

COc1c(F)cccc1-n1ncc2c(ccnc12)-c1cnccc1C

BDBM50405188

Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50405189

Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1Cl

BDBM50405209

Cc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1F

BDBM50405210

Cc1ccncc1-c1ccnc2n(ncc12)-c1ncccc1Cl

BDBM208947

Cn1cncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50405212

Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncn2cccc12

BDBM50405213

Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cccnc1

BDBM50405214

COc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50405215

Nc1ccncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50405216

Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50405217

Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1N1CC(F)(F)C1

BDBM50405218

Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1NCC(F)(F)F

BDBM50405219

Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1NC1CC1

BDBM50405220

CNC1=C(C(=O)NC(=N1)N)N=O

BDBM50405221

Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncnc1C(F)(F)F

BDBM50405222

Cc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50405223

Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1F

BDBM50405224

Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1C(F)(F)F

BDBM50405225

Nc1ncncc1-c1ccnc2n(ncc12)-c1c(F)cc(F)cc1F |(-5.55,2.02,;-5.55,.48,;-6.88,-.29,;-6.89,-1.83,;-5.55,-2.6,;-4.22,-1.83,;-4.22,-.29,;-2.88,.47,;-2.88,2.01,;-1.54,2.78,;-.21,2.01,;-.21,.47,;.94,-.6,;.32,-1.97,;-1.22,-1.79,;-1.55,-.3,;2.43,-.2,;3.52,-1.29,;3.12,-2.78,;5.01,-.89,;5.4,.59,;6.89,.99,;4.31,1.68,;2.83,1.29,;1.74,2.38,)|

BDBM50405226

Nc1ncncc1-c1ccnc2n(ncc12)-c1cccc(c1)S(N)(=O)=O

BDBM50405227

Nc1ncncc1-c1ccnc2n(ncc12)-c1ccccn1

BDBM50405417

COCCCOc1cc2OC[C@H](n3cc(C(O)=O)c(=O)cc3-c2cc1OC)C(C)(C)C |r|

BDBM50405588

[H][C@]12OC[C@@H](Oc3nc4nc(N[C@H]5CCc6cc(OCCOC)cc(F)c56)c(Cl)cc4[nH]3)[C@@]1([H])OC[C@H]2O |r|

BDBM414765

Cc1cc(CN2CCC2)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1

BDBM50193179

CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)OC(C)(C)C

BDBM50193180

CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)C1CCCC1

BDBM50193172

CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(C)(C)C

BDBM50193189

CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)N1CC2CCC(CC2)C1 |(-10.27,-12.49,;-8.93,-13.25,;-8.92,-14.79,;-7.6,-12.47,;-7.61,-10.93,;-6.29,-10.15,;-4.94,-10.9,;-4.93,-12.44,;-6.26,-13.23,;-3.62,-10.12,;-3.64,-8.58,;-2.28,-10.87,;-2.27,-12.41,;-.93,-13.16,;.4,-12.38,;.38,-10.84,;-.96,-10.08,;1.74,-13.14,;1.75,-14.68,;3.07,-12.37,;4.64,-12.83,;5.99,-11.86,;7.33,-12.56,;6.6,-11.37,;4.98,-10.51,;5.01,-9.04,;6.04,-10.28,;4.29,-11.83,)|

BDBM50608161

CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1

BDBM50608283

CCOC(=O)C1=C(C)Cc2nc(N3CCC(CC3)C(=O)NS(=O)(=O)Cc3ccccc3)c(cc2C1)C#N |c:5|

BDBM50608284

O=C(NS(=O)(=O)Cc1ccccc1)C1CCN(CC1)c1nc2COC(=O)c2cc1C#N

BDBM50608285

Clc1ccc(s1)S(=O)(=O)NC(=O)C1CCN(CC1)c1nc2COC(=O)c2cc1C#N

BDBM50608286

CC1(CCN(CC1)c1nc2COC(=O)c2cc1C#N)C(=O)NS(=O)(=O)c1ccc(Cl)s1

BDBM50608287

Cc1ccc(CS(=O)(=O)NC(=O)C2(C)CCN(CC2)c2nc3COC(=O)c3cc2C#N)cc1

BDBM50071058

C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|

BDBM50583519

OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cccnc1-c1ccncc1

BDBM50581659

Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC

BDBM50609476

[H][C@@]12COc3cc4nc(C)nc(N[C@H](C)c5cccc(C(F)F)c5F)c4cc3N1CCN(C2)C(=O)[C@H]1CCOC1 |r|

BDBM50609917

Nc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1

BDBM50609919

Clc1cccc(Nc2nc(cs2)-c2nccs2)c1

BDBM50609920

Clc1ccc(Nc2nc(cs2)-c2nccs2)cc1

BDBM50609921

COc1cccc(Nc2nc(cs2)-c2nccs2)c1

BDBM50609922

Fc1cccc(Nc2nc(cs2)-c2nccs2)c1

BDBM50609923

Fc1ccc(Nc2nc(cs2)-c2nccs2)cc1

BDBM50609924

COc1cc(Nc2nc(cs2)-c2nccs2)cc(OC)c1

BDBM50609925

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nccs2)c1

BDBM50609926

Clc1cc(Nc2nc(cs2)-c2nccs2)cc(Cl)c1Cl

BDBM50609927

C1CN(CCO1)c1ccc(Nc2nc(cs2)-c2nccs2)cc1

BDBM50609928

N(c1nc(cs1)-c1nccs1)c1ccc(cc1)-n1ccnc1

BDBM50609929

C(c1ccc(Nc2nc(cs2)-c2nccs2)cc1)n1ccnc1

BDBM50609930

C(c1ccc(Nc2nc(cs2)-c2nccs2)cc1)n1cncn1

BDBM50609931

C1Oc2ccc(Nc3nc(cs3)-c3nccs3)cc2O1

BDBM50609932

Fc1cccc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2)c1

BDBM50609933

Fc1cccc(Nc2nc(cs2)-c2nc(cs2)-c2ccccn2)c1

BDBM50609934

Fc1cccc(Nc2nc(cs2)-c2nc(cs2)-c2cccnc2)c1

BDBM50609935

Fc1cccc(Nc2nc(cs2)-c2nc(cs2)-c2ccncc2)c1

BDBM50609936

Cc1sc(nc1-c1ccncc1)-c1csc(Nc2cccc(F)c2)n1

BDBM50609937

CCc1sc(nc1-c1ccccc1)-c1csc(Nc2cccc(F)c2)n1

BDBM50609938

CC(C)c1sc(nc1-c1ccccc1)-c1csc(Nc2cccc(F)c2)n1

BDBM50609939

Fc1cccc(Nc2nc(cs2)-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c1

BDBM50609940

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2)cc(OC)c1

BDBM50609941

COc1cc(Nc2nc(cs2)-c2nc(c(C)s2)-c2ccccc2)cc(OC)c1

BDBM50609942

CCc1sc(nc1-c1ccccc1)-c1csc(Nc2cc(OC)cc(OC)c2)n1

BDBM50609943

COc1cc(Nc2nc(cs2)-c2nc(c(s2)-c2ccccc2)-c2ccccc2)cc(OC)c1

BDBM50609944

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2)c1

BDBM50609945

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccn2)c1

BDBM50609946

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2cccnc2)c1

BDBM50609947

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2ccncc2)c1

BDBM50609948

Cc1sc(nc1-c1ccccc1)-c1csc(Nc2cc(Cl)cc(Cl)c2)n1

BDBM50609949

CCc1sc(nc1-c1ccccc1)-c1csc(Nc2cc(Cl)cc(Cl)c2)n1

BDBM50609950

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c1

BDBM50609951

C1CN(CCO1)c1ccc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2)cc1

BDBM50609952

C1CN(CCO1)c1ccc(Nc2nc(cs2)-c2nc(cs2)-c2ccccn2)cc1

BDBM50609953

C1CN(CCO1)c1ccc(Nc2nc(cs2)-c2nc(cs2)-c2cccnc2)cc1

BDBM50609954

C1CN(CCO1)c1ccc(Nc2nc(cs2)-c2nc(cs2)-c2ccncc2)cc1

BDBM50609955

Cc1sc(nc1-c1ccncc1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609956

CCc1sc(nc1-c1ccncc1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609957

COc1ccc(cc1)-c1csc(n1)-c1csc(Nc2cc(OC)cc(OC)c2)n1

BDBM50609958

COc1cccc(c1)-c1csc(n1)-c1csc(Nc2cc(OC)cc(OC)c2)n1

BDBM50609959

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccc(OC)c(OC)c2)cc(OC)c1

BDBM50609960

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2cccc(Cl)c2)cc(OC)c1

BDBM50609961

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2Cl)cc(OC)c1

BDBM50609962

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccc(F)cc2)cc(OC)c1

BDBM50609963

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2cccc(F)c2)cc(OC)c1

BDBM50609964

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2F)cc(OC)c1

BDBM50609965

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2cccc(c2)C#N)cc(OC)c1

BDBM50609966

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccc(Cl)cc2F)cc(OC)c1

BDBM50609967

COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2OCC#C)cc(OC)c1

BDBM50609968

COc1ccc(cc1OC)-c1csc(n1)-c1csc(Nc2cccc(F)c2)n1

BDBM50609969

Fc1cccc(Nc2nc(cs2)-c2nc(cs2)-c2ccc(Cl)cc2F)c1

BDBM50609970

Fc1cccc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2OCC#C)c1

BDBM50609971

Fc1ccc(cc1)-c1csc(n1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609972

Fc1ccccc1-c1csc(n1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609973

Clc1ccccc1-c1csc(n1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609974

COc1cccc(c1)-c1csc(n1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609975

Fc1cc(Cl)ccc1-c1csc(n1)-c1csc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50609976

Clc1cc(Cl)cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2Cl)c1

BDBM50609977

Fc1ccccc1-c1csc(n1)-c1csc(Nc2cc(Cl)cc(Cl)c2)n1

BDBM50610136

C[C@@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|

BDBM50610140

[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|

BDBM50197860

CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1

BDBM50197858

CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1

BDBM50197859

CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1

BDBM50611046

CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|

BDBM50611048

CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O

BDBM50612449

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

BDBM50612991

CC(C)C[C@@H](NC(=O)C1(CCCCC1)C(F)(F)F)C(=O)Nc1nnc(Cc2ccc(cc2)C#N)s1 |r|

BDBM50613196

COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|

BDBM50451549

COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F

BDBM50613725

COc1cccc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1

BDBM50613918

Cc1cccc(n1)-c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc1-c1ccc2[nH]ncc2c1

BDBM50613919

Cc1cccc(n1)-c1[nH]c(NCc2ccc(Cl)cc2F)nc1-c1ccc2[nH]ncc2c1

BDBM50613916

Cc1cccc(n1)-c1[nH]c(NCc2cccc(Cl)c2F)nc1-c1ccc2[nH]ncc2c1

BDBM50613914

Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)c(F)c2)nc1-c1ccc2[nH]ncc2c1

BDBM50613915

Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)cc2F)nc1-c1ccc2[nH]ncc2c1

BDBM50613920

Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2F)nc1-c1ccc2[nH]ncc2c1

BDBM50613917

Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2[nH]ncc2c1

BDBM50613897

Cc1cccc(n1)-c1[nH]c(NCc2ccccc2F)nc1-c1ccc2[nH]ncc2c1

BDBM50613901

Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)S(C)(=O)=O

BDBM50613900

Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)C(F)F

BDBM50613898

Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(C)ncc2c1

BDBM50613948

Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3)c2c1

BDBM50614230

Fc1cc(Cc2cc(ccn2)-n2ncc3c2CCNC3=O)cc(c1)C(F)(F)F

BDBM50614333

NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|

BDBM368514

FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12

BDBM50614509

[H][C@@]12CC[C@@]([H])(N1c1ncc3[nH]nc(-c4cnn(c4)C4CCC4)c3n1)C(=O)N(C)C2 |r|

BDBM50454785

CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1

BDBM50614710

Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1

BDBM50615271

COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O

BDBM145227

CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|

BDBM145466

CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1

BDBM145591

CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1

BDBM50616931

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cncnc1

BDBM50616932

Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cncnc1

BDBM50616997

FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2)nn1

BDBM276190

FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncco2)nn1

BDBM276191

FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncccn2)nn1

BDBM50616998

FC(F)OC1CC(CCC1Cl)n1cc(COc2ncccc2F)nn1

BDBM276103

FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncccn2)nn1

BDBM276559

COCc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1

BDBM50617140

[H][C@]12CN(CC(C)(C)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](NC(=N1)c1nccs1)c1cccc(F)c1C)C(=O)OCC)C2 |r,c:23,t:19|

BDBM50617915

Fc1ccc(CNc2ccc3c(C4CCCC4)c(C#N)c(=O)n(CC4CCCC4)c3c2)nc1

BDBM50618027

CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1

BDBM50618119

C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N1CCC2(CCN(CC2)C(=O)CN2Cc3cc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4cc3C2)CC1 |r|

BDBM50618195

COc1ccc(-c2csc(n2)-c2ccc(OC)cc2OC)c(OC)c1

BDBM50618196

COc1ccc(-c2nc(cs2)-c2cccnc2)c(OC)c1

BDBM50618197

COc1ccc(-c2nc(cs2)-c2ccc(cc2)C#N)c(OC)c1

BDBM50618198

COc1ccc(-c2nc(cs2)-c2ccc(O)cc2)c(OC)c1

BDBM50618199

COc1ccc(cc1)-c1csc(n1)-c1ccc(OC)cc1OC

BDBM50618200

COc1ccc(-c2nc(cs2)-c2ccc(F)cc2)c(OC)c1

BDBM50547480

O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|

BDBM50618287

CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)N1N=C(\C(=N\Nc2ccccc2)C1=O)c1ccccc1 |c:20|

BDBM435794

CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)c5c(cccn5)F

BDBM424454

CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|

BDBM50204367

CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2n1C)c1ccccc1 |r|

BDBM50618897

COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(C)CC2)s1

BDBM50619050

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)C2CCCCC2)c1

BDBM50619051

OC(=O)Cc1ccc(Cl)c(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)C2CCCCC2)c1

BDBM50619052

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCCC2)c1

BDBM50619053

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCCCC2)c1

BDBM50619054

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCC2)c1

BDBM50619055

CC1CCCN1C1(CCOc2cc(Cl)cc(CC(O)=O)c2)CCN(CC1)c1nc2ccc(Cl)cc2s1

BDBM50619056

CN(C)C1(CCOc2cc(Cl)cc(CC(O)=O)c2)CCN(CC1)c1nc2ccc(Cl)cc2s1

BDBM50619057

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(cc3s2)C(F)(F)F)N2CCCC2)c1

BDBM50619058

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(cc3s2)C(F)(F)F)N2CCOCC2)c1

BDBM50619060

Cc1cc(CC(O)=O)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCC2)c1

BDBM50619061

Cc1ccc(CC(O)=O)cc1OCCC1(CCN(CC1)c1nc2ccc(Cl)cc2s1)N1CCCC1

BDBM50619062

OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(nc3s2)C(F)(F)F)N2CCCC2)c1

BDBM28661

Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F

BDBM50188597

Oc1nc(nc2ccccc12)-c1ccc(F)cc1

BDBM50619336

FCCOc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1

BDBM50619334

FCCOc1nc(nc2ccccc12)-c1ccc(Br)cc1

BDBM50619335

FCCOCCOCCOc1nc(nc2ccccc12)-c1ccc(Br)cc1

BDBM50619827

Fc1ccc(F)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

BDBM50620050

C[C@@H]1COCCN1c1nc(nc2c1CN(C(=O)c1ccc3OCOc3c1)C2(C)C)-c1cccc2[nH]ccc12 |r|

BDBM50620053

C[C@@H]1COCCN1c1nc(nc2c1CN(C(=O)c1cccc(c1)S(C)(=O)=O)C2(C)C)-c1cccc2[nH]ccc12 |r|

BDBM50620313

CCC(=O)N1CCc2nc(Nc3ccc(cc3)C#N)nc(Oc3c(C)cc(cc3C)C#N)c2C1

BDBM50103642

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

BDBM50620461

CCS(=O)(=O)Nc1cc(-c2c(C)nn(C)c2C)c(F)c(c1)-c1ccnc2nc[nH]c12 |(-6.58,2.24,;-5.25,3.01,;-3.91,2.24,;-4.68,.9,;-3.14,.9,;-2.58,3.01,;-1.24,2.24,;-1.24,.7,;.09,-.07,;.09,-1.61,;1.33,-2.52,;2.82,-2.12,;.86,-3.98,;-.68,-3.98,;-1.45,-5.31,;-1.16,-2.52,;-2.64,-2.12,;1.42,.7,;2.76,-.07,;1.42,2.24,;.09,3.01,;2.76,3.01,;2.76,4.54,;4.09,5.31,;5.42,4.55,;5.43,3.01,;6.58,1.98,;5.95,.56,;4.41,.73,;4.09,2.24,)|

BDBM50620470

C[C@H]1CC2(CN1c1ccc(C#N)c(Cl)c1)CCN(CC2)c1ccc(cc1)C(=O)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1 |r|

BDBM50620480

[H][C@]12C[C@]([H])(CNC1)[C@]2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|

BDBM50620641

Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1 |r,t:7,13|

BDBM50620957

CC(C)C[C@@H](O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F |r|

BDBM496902

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C

BDBM50621046

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5C[C@H](C)N[C@H](C)C5)c4cc3OC)ncc2N(C)C1=O |r|

BDBM50621047

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)S(C)(=O)=O)c4cc3OC)ncc2N(C)C1=O |r|

BDBM445033

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)c5ccc(cc5)Cc6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C=C[C@]37C)O

BDBM50621262

COC1CCN(CC1)c1cc(nc2n(nc(C3CCC3)c12)-c1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C

BDBM50618894

COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12

BDBM50621382

CC1(C)Cn2nc(c(c2CO1)-c1ccnc2[nH]ncc12)-c1ccc(F)cn1 |(15.2,-5.26,;14.79,-6.74,;16.27,-7.16,;13.46,-5.96,;12.12,-6.71,;10.66,-6.22,;9.74,-7.46,;10.63,-8.71,;12.1,-8.25,;13.43,-9.04,;14.77,-8.28,;10.22,-10.2,;8.72,-10.58,;8.31,-12.06,;9.39,-13.16,;10.88,-12.78,;12.2,-13.56,;13.37,-12.68,;12.83,-11.23,;11.29,-11.3,;8.2,-7.44,;7.42,-8.77,;5.88,-8.75,;5.12,-7.42,;3.58,-7.4,;5.91,-6.08,;7.45,-6.1,)|

BDBM50621423

[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-2-[#6]-[#6]-2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]-c4ccncc4)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:20|

BDBM50208006

Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1)c1ccc(F)cc1

BDBM50208001

Fc1ccc(cc1)C1(CN(C2CCN(Cc3ccccc3)CC2)C(=O)N1)c1ccc(F)cc1

BDBM50208007

Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1)c1ccc(F)cc1

BDBM50209378

Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

BDBM50209382

CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

BDBM50209379

COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O

BDBM50209381

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1

BDBM50209385

CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4|

BDBM50209387

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32|

BDBM50209388

Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1

BDBM50209389

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32|

BDBM50209390

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1

BDBM50209380

Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O

BDBM50209392

CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4|

BDBM50209391

Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

BDBM50209393

Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1

BDBM50209386

CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

BDBM50209383

Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1

BDBM50209384

CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O

BDBM50209506

COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC

BDBM50209505

COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC

BDBM50075373

COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC

BDBM50209508

COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC

BDBM22720

CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1

BDBM50211848

Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1

BDBM50211840

Fc1cc(Cl)ccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F

BDBM50211857

FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1

BDBM50211843

FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1

BDBM50211852

Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1

BDBM50211853

Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F

BDBM50211860

FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1

BDBM50211854

Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F

BDBM50211844

FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1

BDBM50211849

FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1

BDBM50211855

FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1

BDBM50211846

OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1

BDBM50211859

FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1

BDBM50211845

FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1

BDBM50213744

Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|

BDBM50213919

OC(=O)COc1ccc(Cl)cc1C1CCCCCC1

BDBM50218034

CCCCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12

BDBM50218036

CN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c12

BDBM50218040

CN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12

BDBM50218039

Cc1ccc2c(OCCN3CCN(Cc4ccc5OCC(=O)N(Cc6ccccc6)c5c4)CC3)cccc2n1

BDBM50218035

CN1C(=O)COc2c(F)cc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12

BDBM50218041

CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12

BDBM50218037

CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c12

BDBM50218042

Cc1ccc2c(OCCN3CCN(Cc4ccc5OCC(=O)N(CCc6ccccc6)c5c4)CC3)cccc2n1

BDBM50219566

OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1

BDBM50220017

Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1

BDBM50220015

OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O

BDBM50220026

Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O

BDBM50220012

Fc1cc(ccc1-c1cccnc1)N1C[C@H](Cn2ccnn2)OC1=O

BDBM50220019

Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O

BDBM50220023

Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O

BDBM50222062

Clc1ccc(s1)-c1ccc(\C=C\S(=O)(=O)NC[C@@H]2CCN(C2)C(=O)C2CCN(CC2)c2ccncc2)s1

BDBM50222227

Clc1ccc(cc1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1

BDBM50224181

CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|

BDBM50224734

CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1

BDBM50226483

NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)CC2)c(F)c1

BDBM50226629

CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1

BDBM50145416

COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1

BDBM50237760

Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O

BDBM50240847

O=C1\C(CC\C1=C/c1ccccc1)=C\c1ccccc1

BDBM50265038

Clc1ccc(\C=C\C(=O)\C=C\c2ccc(Cl)cc2)cc1

BDBM50264834

Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1

BDBM50264833

COc1ccc(\C=C2/CCC\C(=C/c3ccc(OC)cc3)C2=O)cc1

BDBM50265082

Clc1cccc(\C=C\C(=O)\C=C\c2cccc(Cl)c2)c1

BDBM50258200

COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O

BDBM50264963

CCc1cc(\C=C2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)C2=O)cc(CC)c1O

BDBM50240379

O=C(\C=C\c1ccccc1)/C=C/c1ccccc1

BDBM50265039

CC(C)(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1

BDBM50265040

FC(F)(F)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1

BDBM50067028

COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

BDBM50241496

COc1cc(\C=C2/CC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O

BDBM50265002

CC(C)(C)c1cc(\C=C2/CC\C(=C/c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C2=O)cc(c1O)C(C)(C)C

BDBM50240380

O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1

BDBM50264922

Oc1ccc(\C=C2/CC\C(=C/c3ccc(O)cc3)C2=O)cc1

BDBM50264887

Clc1cccc(\C=C2/CCC\C(=C/c3cccc(Cl)c3)C2=O)c1

BDBM50265001

CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O

BDBM50264886

FC(F)(F)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(F)(F)F)C2=O)cc1

BDBM50241499

CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1

BDBM50067040

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

BDBM50243736

OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31|

BDBM50243822

OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32|

BDBM50243818

CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:21|

BDBM50262939

Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F

BDBM50263093

Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1

BDBM50262415

CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|

BDBM50262678

CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|

BDBM50262625

CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|

BDBM50262487

Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O

BDBM50268484

Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|

BDBM50272248

COc1ccc2cc(ccc2c1)-c1cnccc1N

BDBM50272368

COc1ccc2cc(ccc2c1)-c1cncc2ccccc12

BDBM50272291

COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)=O

BDBM50272250

COc1ccc2cc(ccc2c1)-c1cncc(OC)c1

BDBM50265098

CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N

BDBM50275501

COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CN(C)C3CCCCC3)ccc12

BDBM50275432

CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1

BDBM50275377

CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O

BDBM50246354

OC[C@H](C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |r,w:11.11|

BDBM50247157

C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1 |r|

BDBM50255029

C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r|

BDBM50254700

CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1

BDBM50254701

Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1

BDBM50254738

Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1

BDBM50254444

CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1

BDBM50254678

C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29|

BDBM50254758

C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:28:27:23.24:29|

BDBM50254464

CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl

BDBM50254465

CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O

BDBM50254466

CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl

BDBM50254513

CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F

BDBM50254679

CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl

BDBM50254723

CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F

BDBM50254759

Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F

BDBM50254760

Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F

BDBM50254761

Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F

BDBM50197898

OC(=O)c1cccc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10|

BDBM50273676

OC1CCc2cc(ccc2C1)-c1cccnc1

BDBM50273677

COC1CCc2cc(ccc2C1)-c1cccnc1

BDBM50273678

CCOC1CCc2cc(ccc2C1)-c1cccnc1

BDBM50273679

N#CC1CCc2cc(ccc2C1)-c1cccnc1

BDBM50273700

N#CC1=Cc2ccc(cc2CC1)-c1cccnc1 |t:2|

BDBM50273703

O=C1CCc2cc(ccc2C1)-c1cccnc1

BDBM50273704

O=C1CCc2cc(ccc12)-c1cccnc1

BDBM50273705

COc1cncc(c1)-c1ccc2CC(=O)CCc2c1

BDBM50000306

O=C1CCc2cc(ccc2N1)-c1cccnc1

BDBM50273706

O=C1Cc2cc(ccc2N1)-c1cccnc1

BDBM50273776

CN1C(=O)CCc2cc(ccc12)-c1cccnc1

BDBM50273777

CCN1C(=O)CCc2cc(ccc12)-c1cccnc1

BDBM50273780

COc1cncc(c1)-c1ccc2NC(=O)CCc2c1

BDBM50273781

COc1cncc(c1)-c1ccc2N(C)C(=O)CCc2c1

BDBM50273813

O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12

BDBM50273815

S=C1CCc2cc(ccc2N1)-c1cccnc1

BDBM50273778

Clc1cc(cc2CCC(=O)Nc12)-c1cccnc1

BDBM50246956

C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22|

BDBM50247128

CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C

BDBM50255872

CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1

BDBM50266416

COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|

BDBM50248555

CN(CCC1c2ccccc2Oc2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1

BDBM50248347

CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1

BDBM50249410

CC(C)CNc1nc(nc(N2CCOCC2)c1N)C#N

BDBM50249411

CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N

BDBM50249446

CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N

BDBM50257964

C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C |r|

BDBM50248919

CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C

BDBM50249479

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|

BDBM50267297

COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r|

BDBM50267295

COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r|

BDBM50259612

[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1

BDBM50259611

[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1

BDBM50259613

[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1

BDBM50259240

NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12

BDBM50259554

NCc1noc(n1)-c1nn(CCc2ccccc2)c2ccccc12

BDBM50259287

Cc1cc(C)cc(Cn2nc(-c3nc(CN)no3)c3ccccc23)c1

BDBM50259243

Cc1cccc(Cn2nc(-c3nc(CN)no3)c3ccccc23)c1

BDBM50259557

NCc1noc(n1)-c1n[nH]c2ccccc12

BDBM50259241

NCc1noc(n1)-c1n(Cc2ccccc2)nc2ccccc12

BDBM50259555

NCc1noc(n1)-c1n(CCc2ccccc2)nc2ccccc12

BDBM50259618

CC(C)(C)OC(=O)NCc1noc(n1)-c1n[nH]c2ccccc12

BDBM50259063

CC(C)(C)OC(=O)NCc1noc(n1)-c1nn(Cc2ccc3OCOc3c2)c2ccccc12

BDBM50259112

CC(=O)Nc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc23)cc1

BDBM50259585

COc1ccc(cc1OC)S(=O)(=O)n1nc(-c2nc(CN)no2)c2ccccc12

BDBM50277511

C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22|

BDBM50268888

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)N1CCNC1=O

BDBM50268887

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccco1

BDBM50268783

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cncn1

BDBM50268782

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccccn1

BDBM50268781

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1ccccc1=O

BDBM50268780

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cccn1

BDBM50268779

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)N1CCCCC1=O

BDBM50268743

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1c[nH]c(=O)[nH]c1=O

BDBM50268742

CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12

BDBM50268741

Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)C(=O)NCCO

BDBM50241269

CCc1cccc(C)c1CNc1cc(cn2c(C)c(C)nc12)C(N)=O

BDBM586429

CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl

BDBM50134931

CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O

BDBM50134936

CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O

BDBM50134934

CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O

BDBM50056190

CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

BDBM50293131

CCc1cc(CC[C@@]2(CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)C2CCCC2)cc(CC)n1 |r|

BDBM50293851

CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|

BDBM50293855

OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|

BDBM35283

Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|

BDBM50296636

Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1

BDBM50296848

Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1

BDBM50297077

FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|

BDBM50297385

COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1

BDBM50297723

CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1

BDBM50297717

CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCOCC1

BDBM50299165

CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|

BDBM19188

CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl

BDBM50301735

CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl

BDBM50245848

CC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1

BDBM50301825

CC(C)(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1

BDBM50301826

COc1cccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)c1

BDBM50301827

CCOc1ccccc1CNC(=O)CC1(C)CC2(CCCCC2)OO1

BDBM50301828

COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1

BDBM50301829

COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC

BDBM50301830

CC1(CC(=O)NCc2cccc(c2)C(F)(F)F)CC2(CCCCC2)OO1

BDBM50301831

CC1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1

BDBM50301832

CC1(CC(=O)NCc2ccccc2OC(F)(F)F)CC2(CCCCC2)OO1

BDBM50301833

CC1(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC2(CCCCC2)OO1

BDBM50301834

CC1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1

BDBM50301835

CC1(CC(=O)NCc2cccc(Br)c2)CC2(CCCCC2)OO1

BDBM50301836

CC1(CC(=O)NCc2ccc(Br)cc2F)CC2(CCCCC2)OO1

BDBM50301837

CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)CC2(C)CC3(CCCCC3)OO2)c1

BDBM50301838

CC1(CC(=O)NCc2ccc(cc2)C(O)=O)CC2(CCCCC2)OO1

BDBM50301839

COC(=O)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1

BDBM50301840

CC1(CC(=O)NCc2ccccc2N)CC2(CCCCC2)OO1

BDBM50301841

CN(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1

BDBM50301842

CC1(CC(=O)NCc2ccc(cc2)[N+]([O-])=O)CC2(CCCCC2)OO1

BDBM50301843

CSc1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1

BDBM50301844

CC1(CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC2(CCCCC2)OO1

BDBM50301845

CC1(CC(=O)NCc2ccccc2N2CCCCC2)CC2(CCCCC2)OO1

BDBM50301846

CC1(CC(=O)NCc2ccc(cc2)N2CCOCC2)CC2(CCCCC2)OO1

BDBM50301847

CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1

BDBM50301848

CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1

BDBM50301849

CC1(CC(=O)NCc2ccc3OCCOc3c2)CC2(CCCCC2)OO1

BDBM50301850

CC1(CC(=O)NCc2ccc3OC=CCOc3c2)CC2(CCCCC2)OO1 |c:12|

BDBM50301851

CC1(CC(=O)NCc2ccccn2)CC2(CCCCC2)OO1

BDBM50301852

CC1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1

BDBM50302371

Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12

BDBM50302372

Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12

BDBM50302542

C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r|

BDBM50302543

C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r|

BDBM50302544

C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r|

BDBM50228518

C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1

BDBM50133282

C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4

BDBM50228465

COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12

BDBM50302545

C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r|

BDBM50303662

Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12

BDBM50304834

Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1

BDBM50158528

Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r|

BDBM50305147

C[C@@H](NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1 |r|

BDBM50305878

Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50306605

O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|

BDBM50307942

c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl

BDBM50307943

CC(C)(C)c1ccc(CC2(N)CCN(CC2)c2ncnc3[nH]ccc23)cc1

BDBM50237622

NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12

BDBM50308245

Clc1ccc(cc1Cl)[C@]1(COC2CCC2)[C@H]2CNC[C@@H]12 |r|

BDBM50308246

Clc1ccc(cc1Cl)[C@]1(COCC2CC2)[C@H]2CNC[C@@H]12 |r|

BDBM50308248

COC[C@@H]1[C@H]2CNC[C@@]12c1ccc2ccccc2c1 |r|

BDBM50308249

CC(C)OC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|

BDBM50308251

CCOC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1 |r|

BDBM50308252

COC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1 |r|

BDBM50308253

Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1[C@H]2COCC1CC1 |r|

BDBM50415477

CCOC[C@]1([C@H]2CCC[C@@H]12)c1ccc(Cl)c(Cl)c1 |r|

BDBM50415478

CCOC[C@H]1[C@@H]2CNC[C@]12C |r|

BDBM50309334

Cc1cccc2N3CCNCC3NC(=O)c12

BDBM50310656

CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|

BDBM50311413

O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1

BDBM50311412

CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1

BDBM50008977

Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N

BDBM50311746

C[C@H]1C[C@@H]1Cn1c(C)c(C)c2cnnc(OCc3ccc(F)cc3)c12 |r|

BDBM50311749

Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-n1ccccc1=O

BDBM50311750

Cc1[nH]c2c(NCc3c(C)cccc3C)nccc2c1C

BDBM50311751

Cc1cc2c(NCc3c(C)cccc3C)nccc2n1C

BDBM50311752

Cc1nc2c(NCc3c(C)cccc3C)nccc2n1C

BDBM50311753

Cc1nc2c(NCc3c(C)cccc3C)cccc2n1C

BDBM50311748

Cc1[nH]c2c(NCc3c(C)cccc3C)ncnc2c1C

BDBM50311747

Cc1cc2c(NCc3c(C)cccc3C)nccn2c1C

BDBM50311754

Cc1nc2c(OCc3c(C)cccc3C)cccn2c1C

BDBM50311761

Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CC=C)-n1ccccc1=O

BDBM50311755

Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CCO)N1CCOCC1=O

BDBM50311762

Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CCO)-n1ccccc1=O

BDBM50311763

CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O

BDBM50311756

Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCNC1=O

BDBM50311757

Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1cccc(=O)[nH]1

BDBM50311758

Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCOCC1=O

BDBM50311759

Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O

BDBM50311760

Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1ccccc1

BDBM50312267

Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|

BDBM50312268

Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1 |r|

BDBM50312269

Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C

BDBM21360

CCOc1ccc2nc3ccc(=O)cc3oc2c1

BDBM50313107

Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)|

BDBM50313248

Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl

BDBM50313987

OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1

BDBM50313988

OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1

BDBM50314108

CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1

BDBM50313653

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccsc1

BDBM50313698

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(O)cc1

BDBM50313700

CCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc12

BDBM50313669

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(OCc2ccccc2)cc1

BDBM50313667

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)[N+]([O-])=O

BDBM50313668

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(F)cc1

BDBM50313666

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(C)cc1

BDBM50313662

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(N)cc1

BDBM50313678

CCCC(=O)Nc1n[nH]c2cc(c(Br)cc12)-c1ccc(O)cc1

BDBM50313701

OC(=O)CCC(=O)Nc1n[nH]c2cc(Cl)ccc12

BDBM50313686

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cccnc1

BDBM50313659

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cc(F)cc(F)c1

BDBM50313656

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccccc1

BDBM50314776

Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|

BDBM28800

COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1

BDBM50315024

FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|

BDBM50315025

Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|

BDBM50315026

Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|

BDBM50315027

FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|

BDBM50315020

FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|

BDBM50315021

FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|

BDBM50315022

Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|

BDBM50315023

Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|

BDBM50315069

CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

BDBM50317624

OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(n2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O

BDBM50317630

OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2F)-c2ccc3OCOc3c2)c1CCC(O)=O

BDBM50317623

OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2cccc(F)c2)-c2ccc3OCOc3c2)c1CCC(O)=O

BDBM50317626

OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCOc3c2)-c2ccsc2)c1CCC(O)=O

BDBM50317628

OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccncc2)-c2ccncc2)c1CCC(O)=O

BDBM50317625

OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O

BDBM50317865

CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1

BDBM50318220

CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r|

BDBM50319665

CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|

BDBM50312271

Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|

BDBM50322852

Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C

BDBM50322853

Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C

BDBM50322854

Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C

BDBM50323161

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)|

BDBM50323463

O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|

BDBM50323721

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)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r|

BDBM50022815

BDBM50325211

CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl

BDBM50325212

FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl

BDBM50325213

CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl

BDBM50200841

C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F

BDBM21278

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

BDBM23419

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

BDBM23418

COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O

BDBM50325671

c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM7459

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

BDBM50325673

COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

BDBM23414

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

BDBM26667

c1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O

BDBM23409

COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM50325674

COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM50241084

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

BDBM7458

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

BDBM7462

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

BDBM50084978

COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM23415

COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1

BDBM50049391

c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O

BDBM50326136

CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

BDBM50326139

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nnnn-32)CC1

BDBM50326141

Cc1nnc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n12

BDBM50326142

Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

BDBM50326143

CC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

BDBM50326144

CN(C)C(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

BDBM50326132

CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

BDBM50326131

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(N)=O)CC1

BDBM50326145

CC(C)NC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21

BDBM50326146

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CC2)CC1

BDBM50326147

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1

BDBM50326148

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCC2)CC1

BDBM50326149

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCCC2)CC1

BDBM50326150

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1

BDBM50326286

FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|

BDBM50326292

CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1

BDBM50326287

CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1

BDBM50326289

FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1

BDBM50327009

CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4

BDBM50327419

O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2

BDBM26664

Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1

BDBM50328438

Cn1c(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1

BDBM50328439

Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@@]3(CC23)c2ccc(cc2)C(F)(F)F)n1C |r|

BDBM50328440

Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(F)(F)F)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|

BDBM50328441

Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|

BDBM50328894

CC(C)(NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F)C(N)=O

BDBM50329821

COc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1

BDBM50417192

CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1

BDBM50329939

CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C

BDBM50330005

Cc1occc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1Cc1ccco1

BDBM50330259

CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12

BDBM50330381

Fc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12

BDBM50330722

Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12

BDBM50330747

OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|

BDBM50330748

OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3|

BDBM50330749

OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21

BDBM50330750

OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3|

BDBM50330751

OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|

BDBM50330752

OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|

BDBM50330753

OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|

BDBM50241083

COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1

BDBM50184924

CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1

BDBM50331168

FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1

BDBM50331170

Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1

BDBM50331184

CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccccc2)cc1=O

BDBM50331185

Cn1c2CNCCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O

BDBM50331186

CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O

BDBM50331187

O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CNCCc3[nH]c2c1

BDBM50331161

O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1

BDBM50331234

O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|

BDBM50331238

O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|

BDBM50331629

Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1

BDBM50331714

CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r|

BDBM50331943

O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O

BDBM50332231

Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|

BDBM50332232

Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|

BDBM50332233

CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM50332234

CN(C)C(=O)Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|

BDBM50332235

Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r|

BDBM50332229

Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM50333015

Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1

BDBM50417554

CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r|

BDBM50334247

Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|

BDBM50334593

COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1

BDBM50335525

CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50335526

CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50335527

CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50335528

CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r|

BDBM50335529

CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r|

BDBM50261942

Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccccc1

BDBM50335818

Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccnc1

BDBM50335816

Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1

BDBM50335819

Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

BDBM50335954

CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC

BDBM50335962

CCOC(=O)c1sc2cnccc2c1Nc1ccc2C(CCc2c1)N=O

BDBM50335963

CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O

BDBM50336315

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)|

BDBM50336641

CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.05,8.98,;39.74,7.47,;38.28,6.98,;40.89,6.44,;42.4,6.77,;43.17,5.44,;42.15,4.29,;40.74,4.91,;39.41,4.14,;38.07,4.9,;36.74,4.13,;36.75,2.58,;35.41,1.81,;34.08,2.58,;34.08,4.12,;35.41,4.89,;32.74,1.81,;32.75,.27,;31.42,-.5,;30.08,.27,;28.75,-.5,;27.42,.27,;27.41,1.81,;28.75,2.58,;30.08,1.81,;31.41,2.58,;26.09,-.51,;24.75,.26,;26.09,-2.05,;42.47,2.79,;43.93,2.32,;45.07,3.35,;44.26,.82,;43.11,-.22,;41.64,.25,;41.32,1.76,;39.86,2.23,)|

BDBM50336974

O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1

BDBM50336975

O=C(Nc1cnc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1

BDBM50336976

O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1

BDBM50336977

Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1

BDBM50336978

Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1

BDBM50336979

Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1

BDBM50336980

Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cnco1

BDBM50337038

FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1

BDBM50338518

N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|

BDBM50338522

Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1

BDBM50339033

CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r|

BDBM50336317

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)|

BDBM50340099

CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12

BDBM50341074

COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccccc1

BDBM50341080

COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(Cl)cc1

BDBM50341081

COc1ccccc1N1CCN(CC1)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1

BDBM50051293

CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|

BDBM50291261

CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|

BDBM50341342

CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F

BDBM50314070

CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F

BDBM50341432

O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1

BDBM50341447

Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|

BDBM50342128

COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1

BDBM50342133

C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C |r|

BDBM50342538

C(c1ccccc1)c1ncc2CCNCCc2n1

BDBM50344585

Cn1c(c(C2CCCCC2)c2ccc(cc12)C(=O)NC(C)(C)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1

BDBM50344738

COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r|

BDBM50344991

CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F

BDBM50345250

OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1

BDBM50345259

N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:4.7,1.0,(33.37,-17.22,;34.71,-16.45,;34.71,-14.91,;36.04,-14.15,;37.36,-14.92,;37.38,-16.46,;36.04,-17.22,;38.7,-14.15,;38.69,-12.61,;37.36,-11.84,;37.36,-10.3,;36.03,-9.53,;38.69,-9.53,;40.02,-10.29,;41.49,-9.81,;42.4,-11.05,;41.5,-12.3,;40.03,-11.83,;43.94,-11.04,;44.72,-12.37,;44.7,-9.7,)|

BDBM50345260

N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:1.0,wD:4.7,(48.98,-16.4,;50.31,-15.63,;50.32,-14.09,;51.64,-13.33,;52.97,-14.1,;52.98,-15.64,;51.64,-16.4,;54.3,-13.33,;54.3,-11.79,;52.96,-11.02,;52.97,-9.48,;51.63,-8.71,;54.29,-8.71,;55.63,-9.47,;57.09,-8.99,;58,-10.23,;57.1,-11.48,;55.64,-11.01,;59.54,-10.22,;60.32,-11.55,;60.3,-8.88,)|

BDBM50346123

CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1F)-c1ccc(F)s1

BDBM50346121

CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1

BDBM50347348

OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|

BDBM50347945

CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1

BDBM50347939

CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1

BDBM50347948

NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1

BDBM50348418

CC(=O)N1CCC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1 |r|

BDBM50348419

CC(=O)N1CCC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1 |r|

BDBM50348420

CN(C)S(=O)(=O)N1CC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1 |r|

BDBM50348421

COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1

BDBM50348422

COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2)CC1

BDBM50348423

Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC

BDBM50348424

COC(=O)N1CCC(CC1)Oc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1

BDBM50348620

Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl

BDBM50348709

Fc1cccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c12

BDBM50348732

Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F

BDBM50348710

CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

BDBM50348733

Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12

BDBM50350728

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1 |r,wU:9.8,wD:12.12,(-10.3,5.18,;-8.97,5.96,;-8.98,7.5,;-10.31,6.73,;-7.64,5.19,;-6.3,5.97,;-6.31,7.51,;-4.97,5.2,;-4.96,3.66,;-3.63,2.89,;-2.3,3.67,;-.97,2.89,;-.97,1.35,;.37,.58,;.36,-.96,;1.7,-1.73,;3.03,-.96,;1.69,-3.27,;3.02,-4.03,;3.03,-5.57,;1.69,-6.35,;.36,-5.58,;-.97,-6.33,;-2.29,-5.57,;-2.29,-4.03,;-.96,-3.27,;.36,-4.04,;4.36,-6.34,;4.36,-7.88,;5.69,-8.65,;7.03,-7.87,;7.02,-6.33,;8.35,-5.55,;9.69,-6.31,;5.68,-5.56,;-2.3,.59,;-3.63,1.35,)|

BDBM50350763

Cc1csc(n1)C12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|

BDBM50350764

Cc1ccn(CC23C[C@]2(CCNC3)c2ccc(Cl)c(Cl)c2)n1 |r|

BDBM50350765

Cc1ccnn1CC12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|

BDBM50350766

Cc1cc(C)n(CC23C[C@]2(CCNC3)c2ccc(Cl)c(Cl)c2)n1 |r|

BDBM50350767

Cc1nc(C)n(CC23C[C@]2(CCNC3)c2ccc(Cl)c(Cl)c2)n1 |r|

BDBM50351402

Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM50351399

Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM50351547

CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1

BDBM50352206

CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1

BDBM50352205

CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4

BDBM50352216

CC[C@@H](NC(=O)c1ccc2n(Cc3ncc(F)cc3F)cnc2c1)c1ccccc1 |r|

BDBM50352683

Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1

BDBM50352707

Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C

BDBM50352702

Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1

BDBM50353039

CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O

BDBM50353046

COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r|

BDBM50353052

COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12

BDBM50353578

COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1

BDBM50353788

CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1

BDBM50354072

CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|

BDBM50354593

CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21|

BDBM50354699

CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2o1 |r|

BDBM50354894

CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1

BDBM50354895

COC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1

BDBM50354896

CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1

BDBM50354897

CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1

BDBM50355277

Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cncs2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(32.69,-2.28,;31.44,-1.37,;29.98,-1.84,;29.08,-.6,;27.54,-.6,;26.77,.74,;25.23,.74,;24.46,-.59,;24.47,2.08,;22.93,2.09,;21.83,1,;20.74,2.1,;21.84,3.18,;19.21,2.1,;18.43,.77,;16.9,.78,;16.13,2.12,;16.89,3.45,;18.44,3.44,;14.59,2.12,;13.68,3.37,;12.22,2.9,;12.22,1.36,;13.69,.88,;29.99,.65,;29.67,2.14,;30.8,3.16,;32.27,2.69,;32.58,1.19,;31.44,.17,;30.48,4.67,;31.62,5.7,;29.02,5.14,;30.07,6.17,)|

BDBM50355394

COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN(C)C)c3)ncn2)c1Cl

BDBM50355388

COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl

BDBM50355389

CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1

BDBM50355390

COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(CCCN(C)C)cc3)ncn2)c1Cl

BDBM50355391

COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl

BDBM50355392

COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl

BDBM50355393

CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl

BDBM50355852

CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1

BDBM50355990

Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1

BDBM50356966

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|

BDBM50357102

CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12

BDBM50357150

C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|

BDBM50357154

C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1 |r|

BDBM50357427

CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1

BDBM50357678

CN(C)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|

BDBM50357686

CN(C)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|

BDBM50357687

CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|

BDBM50357688

CN1CCC[C@@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|

BDBM50357694

NC(=Nc1ccc2N(CCCc2c1)C1CCNCC1)c1cccs1 |w:2.2|

BDBM50357764

OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N

BDBM50357781

OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50358174

O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1

BDBM50358179

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|

BDBM55093

Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O

BDBM55094

Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|

BDBM50358201

CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O

BDBM50358567

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

BDBM50358591

CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C

BDBM50359080

CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1

BDBM50359256

C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r|

BDBM50359252

C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r|

BDBM50359366

Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N

BDBM50359523

Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O

BDBM50359617

CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F

BDBM50359740

COc1ccc(cc1OC)-c1sc(\N=C\c2ccc(cc2)N(C)CCC#N)c(C#N)c1C

BDBM50359741

COc1ccc(cc1OC)-c1sc(\N=C\c2ccc(cc2)-c2ccccc2)c(C#N)c1C

BDBM50360888

C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|

BDBM50353167

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1C |r|

BDBM50360889

C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1 |r,t:18|

BDBM50360902

C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C(C)(C)C1 |r,t:18|

BDBM50360989

CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1

BDBM50361053

Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1

BDBM50361233

COCCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|

BDBM50362091

O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NC2CCCS(=O)(=O)C2)cc1 |r,wU:1.0,wD:1.10,(7.27,-37.19,;7.29,-35.67,;7.26,-34.14,;8.58,-33.36,;10.7,-33.79,;10.73,-35.96,;8.61,-36.41,;9.9,-35.63,;9.88,-34.12,;5.98,-36.45,;4.64,-37.21,;3.3,-37.97,;1.97,-37.19,;.63,-37.95,;.62,-39.49,;-.72,-40.25,;-2.05,-39.48,;-2.04,-37.94,;-3.36,-37.16,;-4.71,-37.93,;-4.71,-39.48,;-3.38,-40.25,;-6.04,-37.15,;-6.03,-35.61,;-7.38,-37.92,;-8.71,-37.14,;-8.7,-35.6,;-10.03,-34.82,;-11.37,-35.58,;-11.38,-37.13,;-12.16,-38.46,;-12.94,-37.12,;-10.05,-37.91,;1.96,-40.27,;3.29,-39.51,)|

BDBM50362092

CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)|

BDBM50419619

CNC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:17.18,wD:17.17,(18.36,-56.75,;19.7,-57.53,;21.04,-56.76,;21.04,-55.22,;22.37,-57.54,;23.71,-56.78,;25.04,-57.55,;25.03,-59.09,;26.36,-59.87,;27.7,-59.11,;27.71,-57.56,;29.05,-56.8,;30.38,-57.59,;30.37,-59.12,;29.04,-59.88,;31.72,-56.83,;33.06,-56.07,;34.37,-55.28,;34.35,-56.8,;34.34,-53.75,;35.66,-52.97,;37.78,-53.4,;37.82,-55.58,;35.69,-56.02,;36.98,-55.24,;36.97,-53.74,;23.7,-59.86,;22.37,-59.09,)|

BDBM50418802

O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |r,wU:1.0,wD:1.10,(4.69,-4.9,;3.94,-6.24,;5.47,-6.23,;6.25,-7.56,;5.48,-8.9,;3.94,-8.9,;3.17,-7.57,;4.49,-6.79,;4.89,-8.27,;3.17,-4.9,;2.4,-3.58,;1.62,-2.24,;.08,-2.24,;-.69,-.91,;.09,.42,;-.68,1.76,;-2.23,1.76,;-2.99,.43,;-4.53,.43,;-5.3,1.76,;-4.54,3.09,;-2.99,3.09,;-6.84,1.75,;-7.61,3.08,;-7.61,.41,;-9.15,.41,;-9.92,1.74,;-9.15,3.08,;-9.92,4.41,;-11.47,4.4,;-12.25,3.06,;-11.47,1.73,;1.62,.43,;2.39,-.9,)|

BDBM50363196

CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|

BDBM50363953

COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:18.22,8.9,(-10.53,-32.06,;-9.74,-33.38,;-8.2,-33.35,;-7.45,-32,;-5.92,-31.97,;-5.12,-33.28,;-5.86,-34.64,;-7.4,-34.67,;-3.58,-33.25,;-4.36,-31.9,;-2.77,-34.56,;-1.24,-34.53,;-.49,-33.18,;-1.29,-31.87,;-2.83,-31.89,;1.05,-33.15,;1.97,-34.38,;3.43,-33.87,;3.4,-32.33,;1.92,-31.89,;4.72,-31.55,;6.06,-32.3,;6.08,-33.84,;7.39,-31.51,;8.73,-32.27,;10.05,-31.48,;10.04,-29.94,;11.4,-32.23,;11.41,-33.77,;12.75,-34.53,;14.08,-33.74,;14.05,-32.19,;12.71,-31.45,;15.37,-31.4,;16.72,-32.15,;15.35,-29.86,;16.7,-30.62,)|

BDBM50296484

Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|

BDBM50364326

COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|

BDBM50364777

COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1

BDBM50364920

CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1

BDBM50364957

O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1

BDBM50364958

CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |c:4|

BDBM50365043

C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r|

BDBM50363325

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r|

BDBM106699

CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4|

BDBM50365585

Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1

BDBM50365710

FC(F)(F)c1ccccc1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1 |w:16.16|

BDBM50366039

Cc1cc(NCCc2ccc[n+]([O-])c2)nc(n1)-c1ccc(Br)cc1

BDBM50366040

Cc1cc(NCCO)nc(n1)-c1ccc(Br)cc1

BDBM50131047

C[n+]1c2-c3[nH]c4ccccc4c3CCn2c(=O)c2ccccc12

BDBM50366821

CN1[C@@H]2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 |r|

BDBM50131045

Clc1ccc2c(c1)nc1-c3[nH]c4ccccc4c3CCn1c2=O

BDBM50131050

COc1cccc2c1nc1-c3[nH]c4ccccc4c3CCn1c2=O

BDBM50131049

COc1ccc2c3CCn4c(nc5ccccc5c4=O)-c3[nH]c2c1

BDBM50131051

COc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1

BDBM50131040

Clc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1

BDBM50131053

COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1

BDBM50131055

COc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1OC

BDBM50131052

COc1cc(OC)c2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1

BDBM50131041

COc1cc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2cc1OC

BDBM50131043

COc1ccc2c(c1)nc1-c3[nH]c4ccccc4c3CCn1c2=O

BDBM50131046

O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12

BDBM50131054

COc1ccc2c(nc3-c4[nH]c5ccccc5c4CCn3c2=O)c1OC

BDBM50131042

Brc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1

BDBM50131044

O=c1c2ccccc2[nH]c2c3nc4ccccc4c3ccn12

BDBM50148708

COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1

BDBM50148709

COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N

BDBM50130610

C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1

c1ccc2ccccc2c1

c1ccc2c(c1)cccc2Cl

C1CCC(=O)OCC1

Clc1ccc(cc1)-c1ccccc1

CCc1ccc2ccccc2c1

CCC1CCC(=O)O1

CCCCCC1CCC(=O)O1

CN1CCC[C@H]1c1cccnc1 |r|

Cc1ccc2c(C)cccc2c1

Cc1ccc(C)c2ccccc12

Clc1cccc2c(Cl)cccc12

O=C1Cc2ccccc2O1

Cc1ccc2ccccc2n1

Cc1cccc2c(C)cccc12

COc1ccc2ccccc2c1

Cc1ccc2ccc(C)cc2c1

CCCCCCC1CCC(=O)O1

c1ccc2c(c1)CCC2

Cc1ccc2ccccc2c1C

O=c1[nH]c2ccccc2o1

Cc1cc(C)oc(=O)c1

Cc1ccc2ccc(C)nc2c1

c1ccc2c(c1)cccc2O

Cc1cccc2ccccc12

COC1=CC(=O)OC1 |t:2|

c1ccc(cc1)-c1ccccc1

Cc1cc(C)c2ccccc2c1

O=C1Cc2ccccc2C1

Cc1ccc2cc(C)ccc2c1

CN1[C@@H](CCC1=O)c2cccnc2

Cc1ccc(CCN)cc1

Cc1ccc2nc(C)ccc2c1

COc1ccc(C=O)cc1

CCCCCC1CCOC(=O)C1

O=C1CCC(O1)c1ccccc1

Clc1ccc(Cl)c2ccccc12

Cc1cc2ccccc2cn1

CCCC1CCC(=O)O1

C1Cc2ccccc2O1

CCCCCCCCC1CCC(=O)O1

Cc1cnc2ccccc2c1

CCCCC1CCCCC1

c1ccc2cc(ccc2c1)O

Cc1ccc2cccc(C)c2c1

Cc1ccc2ccccc2c1

Clc1ccccc1-c1ccccc1

CC1CCC(=O)O1

Fc1ccc2ccccc2c1

CCCCc1ccccc1

Cc1cc(C)c2ccccc2n1

CCCCCCCC1CCC(=O)O1

CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1

BDBM50188049

Clc1ccccc1CC(N1CCNCC1)c1ccccc1

BDBM50201901

OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1

BDBM50201902

Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1

BDBM50193874

Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1

BDBM50198782

Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl

BDBM50218116

CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12

BDBM50228550

C[C@@H]1CCCN1CCCOc1ccc(cc1)N1CCN(CC1=O)C(=O)c1ccc(F)cc1F

BDBM50228551

Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1

BDBM50228552

O=C(N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(cc1)C#N

BDBM50228553

O=C(N1CCN(C(=O)C1)c1ccc(OC2CCN(CC2)C2CCC2)cc1)c1ccc(cc1)C#N

BDBM50214608

c1cc2ccc3cccc4c3c2c(c1)cc4

BDBM50134367

COc1cc(OC)cc(\C=C/c2cccs2)c1

BDBM50214612

CC#Cc1ccc2c(ccc3ccccc23)c1

BDBM50234723

Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1

BDBM50236292

CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1

BDBM50371686

CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccn1)CC#N

BDBM50371684

CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1O)CC#N

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM50371875

C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN

BDBM50371876

C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N

BDBM50371877

CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM50168371

Oc1cccc(c1)-c1ccc2cc(O)ccc2c1

BDBM50373357

CC(C)OC(=O)Nc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1

BDBM50373358

Cc1cc(NC(=O)OC(C)(C)C)nn1Cc1cc(Cl)ccc1OCc1ccccc1

BDBM50374176

c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN

BDBM50374717

CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCCCN(C)C)o1

BDBM50374697

CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(OC2CCNCC2)o1

BDBM50374698

CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCCCCN)o1

BDBM50236389

CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1

BDBM50376226

Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1

BDBM50264212

[O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1 |r,TLB:16:15:8.9.14:11.12,7:8:15:11.12|

BDBM50264142

Fc1ccc2cc(CN3C4CCC3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |TLB:7:8:14.15.13:10.11,16:14:8:10.11|

BDBM50292978

C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r|

BDBM50247629

CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F

BDBM50299148

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

BDBM50333373

Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r|

BDBM50302042

CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50308874

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1

BDBM50308862

O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N

BDBM50308871

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1

BDBM50308875

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1

BDBM50308876

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1

BDBM50308872

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1

BDBM50308877

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1

BDBM50308899

COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CO)cc1

BDBM50308866

COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1

BDBM50308867

COc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1

BDBM50315769

CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1

BDBM50318596

CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1

BDBM50416362

C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r|

BDBM50322696

COC(CC=C)[C@@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|

BDBM50322697

COC[C@]12C[C@]1(CCNC2)c1ccc2ccccc2c1 |r|

BDBM50322698

COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|

BDBM50322916

CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 |r|

BDBM50323790

CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)cn1 |r|

BDBM50323788

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(Cl)cn1

BDBM50323789

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ncccc1C

BDBM50323791

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(C)cn1

BDBM50323792

CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(C)nc1 |r|

BDBM50323793

CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1 |r|

BDBM50323794

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cnccc1C

BDBM50323795

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cncc(c1)C#N

BDBM50323796

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(C)nc1C

BDBM50323797

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1F

BDBM50323798

CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1

BDBM50325933

CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r|

BDBM50334933

CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1

BDBM50334934

FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1

BDBM50334927

FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1

BDBM50334928

Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F

BDBM50334929

c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4

BDBM50334930

FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1

BDBM50334937

c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O

BDBM50334938

CCC(=O)NCc1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F

BDBM50334939

FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CN2CCCC2=O)cc1

BDBM50334940

CC(C(=O)N1CCCC1)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F

BDBM50334941

CS(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F

BDBM50334942

CC(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F

BDBM50335157

FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|

BDBM50336716

CCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1

BDBM50336725

CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1

BDBM50336722

Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)Nc1nccs1

BDBM50202986

COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1

BDBM50176050

CCN1c2c(n(c(n2)/C=C/c3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC

BDBM50336715

CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F

BDBM50336729

CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1

BDBM50336728

CC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1

BDBM50340484

Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccnc2ccccc12

BDBM50343353

Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2CN(Cc12)C(=O)NCC(C)(F)F |(42.82,-46.29,;44.15,-45.52,;45.48,-46.29,;46.82,-45.52,;48.15,-46.28,;46.81,-43.97,;45.48,-43.21,;45.47,-41.67,;46.8,-40.89,;48.14,-41.66,;49.47,-40.88,;50.87,-41.49,;51.9,-40.35,;53.43,-40.5,;51.12,-39.02,;49.62,-39.34,;44.15,-43.98,;42.82,-43.21,;41.49,-43.98,;40.15,-43.21,;38.82,-43.98,;40.15,-41.67,;41.48,-40.9,;41.8,-39.39,;43.32,-39.23,;43.95,-40.63,;42.82,-41.66,;44.09,-37.89,;43.31,-36.56,;45.63,-37.88,;46.39,-36.55,;47.93,-36.54,;49.47,-36.54,;48.7,-35.2,;48.71,-37.87,)|

BDBM50348310

Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1

BDBM50350021

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|

BDBM50352800

Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r|

BDBM50353165

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r|

BDBM50353172

C[C@@H]1CCCN1CCCOc1ccc(cc1F)-c1ccc(=O)n(C)n1 |r|

BDBM50353181

C[C@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r|

BDBM50355119

CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O |r|

BDBM50355120

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCc12 |r|

BDBM50355121

Cn1nc(c2CCCc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1

BDBM50355122

C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(C)C(=O)C2CCCC12 |r,t:18|

BDBM50355123

CN1N=C(C2CCCC2C1=O)c1ccc(OCCCN2CCCCC2)cc1 |c:2|

BDBM50355124

C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCCc12 |r|

BDBM50355125

Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2CCCCc2c1=O

BDBM50355126

Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2ccccc2c1=O

BDBM50355310

CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|

BDBM50379138

Cc1nc2c(OC(F)F)cccc2n1-c1ccc(s1)C(=O)NC1CC1

BDBM50379156

Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N

BDBM50379175

CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1

BDBM50379595

CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)|

BDBM50379611

CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1

BDBM50379617

O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1

BDBM50379618

CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1

BDBM50379619

CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1

BDBM50379620

O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1

BDBM50379670

Oc1ccc2nc([nH]c2c1CN1CCCCC1)-c1ccccc1

BDBM50379681

C(N1CCCCC1)c1cccc2nc([nH]c12)-c1ccccc1

BDBM50379684

Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1

BDBM50380505

COc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1

BDBM50380506

COc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1

BDBM50380507

COc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1

BDBM50275735

COc1ccc2nc(SCc3cc(OC)cc(OC)c3)[nH]c2c1

BDBM50380508

COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1

BDBM50275736

COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1

BDBM50380509

COc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1

BDBM50380510

COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1

BDBM50380511

COc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1

BDBM50380512

COc1ccc2nc(SCc3ccccn3)[nH]c2c1

BDBM50380513

CCOc1ccc2nc(SCc3ccccn3)[nH]c2c1

BDBM50380514

C(Sc1nc2ccccc2[nH]1)c1ccccn1

BDBM50380515

Cc1ccc2nc(SCc3ccccn3)[nH]c2c1

BDBM50380516

FC(F)Oc1ccc2nc(SCc3ccccn3)[nH]c2c1

BDBM50380517

Nc1ccc2nc(SCc3ccccn3)[nH]c2c1

BDBM50380518

CCSc1nc2ccc(OC)cc2[nH]1

BDBM50380519

CCCSc1nc2ccc(OC)cc2[nH]1

BDBM50380520

CCCCSc1nc2ccc(OC)cc2[nH]1

BDBM50380521

CCCCCSc1nc2ccc(OC)cc2[nH]1

BDBM50380522

CCCCCCSc1nc2ccc(OC)cc2[nH]1

BDBM50380534

CCCCCCCSc1nc2ccc(OC)cc2[nH]1

BDBM50380523

COc1ccc2nc(SCC(C)C)[nH]c2c1

BDBM50380524

COc1ccc2nc(SCC(C)(C)C)[nH]c2c1

BDBM50380525

COc1ccc2nc(SCC3CC3)[nH]c2c1

BDBM50380526

COc1ccc2nc(SCC3CCCCC3)[nH]c2c1

BDBM50380527

COc1ccc2nc(SCCCO)[nH]c2c1

BDBM50380528

COc1ccc2nc(SCCCC(O)=O)[nH]c2c1

BDBM50380530

COc1ccc2nc(SCc3ccc(C)cc3)[nH]c2c1

BDBM50380531

COc1ccc2nc(SCc3ccc(cc3)C(C)C)[nH]c2c1

BDBM50380532

COc1ccc2nc(SCc3ccc(cc3)C(C)(C)C)[nH]c2c1

BDBM50380533

COc1ccc2nc(SCc3ccc(cc3)C(O)=O)[nH]c2c1

BDBM50381928

CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4[nH]nc(CC)c4C)c(OC)c3)c2cc1OC

BDBM50381926

COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1

BDBM50381980

COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

BDBM50382048

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM50382412

Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1

BDBM50382413

Cc1[nH]nc(C(O)=O)c1Cc1cc2ccccc2s1

BDBM50382548

Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3

BDBM50382546

Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3

BDBM50382558

Cc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1

BDBM50382559

Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C

BDBM50382932

O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)|

BDBM50382959

COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC

BDBM50383714

c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4

BDBM50384401

C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r|

BDBM50384443

CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|

BDBM50384462

CCC(=O)N(Cc1cccc(c1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1

BDBM50384463

CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1

BDBM50384464

CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1

BDBM50384465

CCCCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1

BDBM50384466

CCCCC(=O)N(Cc1cccc(OC(F)(F)F)c1)c1cc(F)cc(c1)-c1nnn[nH]1

BDBM50384467

CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1

BDBM50384468

CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1

BDBM50384461

CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(c1)-c1nnn[nH]1

BDBM50384612

CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3

BDBM50384820

CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r|

BDBM50384879

C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|

BDBM50384896

CN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|

BDBM50384898

CCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(9.61,2.88,;8.83,1.56,;7.29,1.57,;6.51,.24,;4.97,.25,;4.18,-1.08,;4.94,-2.41,;6.49,-2.42,;7.27,-1.1,;4.17,-3.74,;5.08,-4.99,;4.17,-6.25,;2.7,-5.77,;1.36,-6.54,;.03,-5.77,;.03,-4.22,;1.36,-3.45,;2.7,-4.22,;-1.3,-3.45,;-2.63,-4.22,;-2.63,-5.76,;-3.97,-3.45,;-3.99,-1.91,;-5.46,-1.46,;-6.34,-2.72,;-5.42,-3.95,)|

BDBM50384927

COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r|

BDBM50384929

C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r|

BDBM50384928

C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r|

BDBM50383725

O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|

BDBM50385243

COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|

BDBM50385246

C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r|

BDBM50385398

OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|

BDBM50385616

CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r|

BDBM50385635

CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N |r|

BDBM50386859

OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N

BDBM50387084

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|

BDBM50387085

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Cl)[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|

BDBM50387086

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(F)[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|

BDBM50387285

CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1

BDBM50387290

Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1

BDBM50387525

O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)NC(=O)Nc1ccccc21 |r|

BDBM50387760

O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1

BDBM50388464

CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N

BDBM50388471

CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1

BDBM50388472

CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N

BDBM50388469

CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N

BDBM50388532

CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN

BDBM50388786

CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50388783

CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50389652

C(N1CCN(Cc2ccccc2)CC1)c1nnc(o1)-c1ccccc1

BDBM50389653

C(N1CCN(Cc2ccccc2)CC1)c1nc(no1)-c1ccccc1

BDBM50389654

O=C(NC1CCCCC1)c1nnc(CS(=O)(=O)c2ccccc2)o1

BDBM50389655

O=C(NC1CCCCC1)c1nc(CS(=O)(=O)c2ccccc2)no1

BDBM50389656

C1CCC(CC1)c1nnc(o1)-c1ccncc1

BDBM50389657

C1CCC(CC1)c1nc(no1)-c1ccncc1

BDBM50389658

O=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1

BDBM50389659

O=C(NCc1ccncc1)c1nc(CS(=O)(=O)c2ccccc2)no1

BDBM50389660

Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1

BDBM50389661

Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1

BDBM50390028

Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1

BDBM50390106

Cc1cc(NCCc2ccc[n+]([O-])c2)nc(n1)-c1cc(F)c(Br)cc1F

BDBM50390107

Cc1cc(NCCc2ccc[n+]([O-])c2)nc(n1)-c1cc(F)c(Cl)cc1F

BDBM50390108

Cc1cc(NC[C@@H](O)CO)nc(n1)-c1ccc(Br)c(F)c1 |r|

BDBM50390109

CCc1cc(NC[C@H](O)CO)nc(n1)-c1ccc(Br)c(F)c1 |r|

BDBM50390110

CCc1cc(NC[C@@H](O)CO)nc(n1)-c1ccc(Br)c(F)c1 |r|

BDBM50390111

CCc1cc(NC[C@@H](O)CO)nc(n1)-c1ccc(Cl)c(F)c1 |r|

BDBM50390112

CCc1cc(NC[C@@H](O)CO)nc(n1)-c1cc(F)c(Br)cc1F |r|

BDBM50390113

CCc1cc(NC[C@@H](O)CO)nc(n1)-c1cc(F)c(Cl)cc1F |r|

BDBM50390212

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(n1)-c1ccccc1

BDBM50390213

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(C)c(c1)-c1ccccc1

BDBM50390214

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1C)-c1ccccc1

BDBM50390215

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1C)-c1ccccc1

BDBM50390216

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)c(c1)-c1ccccc1

BDBM50390217

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1Cl)-c1ccccc1

BDBM50390218

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl

BDBM50390219

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)c(c1)-c1ccccc1

BDBM50390220

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1F)-c1ccccc1

BDBM50390221

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1F

BDBM50390222

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1

BDBM50390235

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cn(ccc1=O)-c1ccccc1

BDBM50390228

FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1

BDBM50390229

FC(F)(F)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1

BDBM50390230

CC(C)(C)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1

BDBM50390231

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1

BDBM50390233

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cncc(c1)-c1ccccc1

BDBM50390234

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1

BDBM50390236

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1

BDBM50390223

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)C(F)(F)F

BDBM50390225

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1

BDBM50390226

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1-c1ccccc1

BDBM50390227

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1

BDBM50390224

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1

BDBM50390238

CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccn(-c2ccccc2)c1=O

BDBM50390232

CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccnc(c1)-c1ccccc1

BDBM50365416

Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1

BDBM50390391

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|

BDBM50390396

CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50390397

CC(C)(C#N)c1cnc(s1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

BDBM50390398

O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cccnc2s1 |r|

BDBM50390431

COc1cc(\C=C\c2ccc(SC)cc2)cc(OC)c1OC

BDBM50390430

COc1cccc(\C=C\c2ccc(SC)cc2)c1OC

BDBM50390432

COc1ccc(\C=C\c2ccc(SC)cc2)c(OC)c1

BDBM50390433

COc1ccc(OC)c(\C=C\c2ccc(SC)cc2)c1

BDBM50390434

COc1cc(OC)cc(\C=C\c2ccc(SC)cc2)c1

BDBM50390435

COc1ccc(\C=C\c2ccc(SC)cc2)c(OC)c1OC

BDBM50390436

COc1cc(OC)c(\C=C\c2ccc(SC)cc2)cc1OC

BDBM50390437

COc1cc(OC)c(\C=C\c2ccc(SC)cc2)c(OC)c1

BDBM50390429

COc1ccc(\C=C\c2ccc(SC)cc2)cc1

BDBM50390427

COc1ccccc1\C=C\c1ccc(SC)cc1

BDBM50390428

COc1cccc(\C=C\c2ccc(SC)cc2)c1

BDBM50390438

CSc1ccc(\C=C\c2ccccc2Cl)cc1

BDBM50391433

Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|

BDBM50391758

C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r|

BDBM50391897

C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|

BDBM50392994

C1CCN(CC1)[C@H]([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|

BDBM50392995

C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|

BDBM50392996

C1CCN(C1)[C@H]([C@@H](N1CCCC1)c1ccccc1)c1ccccc1 |r|

BDBM50392997

C1CCN(C1)[C@@H]([C@H](N1CCCC1)c1ccccc1)c1ccccc1 |r|

BDBM50393342

CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F

BDBM50377058

O=C(Nc1ccc(cc1C1=CCCCC1)C1CCNCC1)c1ncc([nH]1)C#N |t:10|

BDBM50393538

O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10|

BDBM50393541

CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50393542

NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:29|

BDBM50393544

O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N |t:10|

BDBM120076

CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:28|

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50393547

OC[C@@H](O)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |r,t:31|

BDBM50393548

OCCNCC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:32|

BDBM50393549

CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|

BDBM50393551

[O-][n+]1cccc(c1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|

BDBM50393554

Cn1cnc(CC(=O)N2CCC(CC2)c2ccc(NC(=O)c3ncc([nH]3)C#N)c(c2)C2=CCCCC2)c1 |t:33|

BDBM50393555

O=C(Cc1ccccn1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|

BDBM50393557

O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|

BDBM50393559

O=C(CN1CCOCC1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|

BDBM50393561

CC(C)(N)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50393562

OCCNC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50393744

Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r|

BDBM50360601

COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|

BDBM50394424

CN(Cc1cccs1)C(=O)C1(CC1)c1ccc(C)cc1

BDBM50394437

CN(Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|

BDBM50394680

Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1

BDBM50395464

CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|

BDBM50395520

OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1

BDBM50396080

Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1

BDBM50396084

Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1

BDBM50396352

Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1

BDBM50396845

Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|

BDBM50396934

OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1

BDBM50397798

CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1

BDBM50397780

Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1

BDBM50397790

Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1

BDBM50397788

Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1

BDBM50397830

COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1

BDBM50335242

OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1

BDBM50399005

CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|

BDBM50399004

CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r|

BDBM50399008

CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|

BDBM50399007

Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r|

BDBM50399006

CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|

BDBM50399036

CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1

BDBM50399037

Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cccc(Cl)c1

BDBM50399012

Cc1cc(NC(=O)c2cnn3cccnc23)c(cn1)-c1cccc(Cl)c1

BDBM50399013

Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12

BDBM50399031

Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1

BDBM50399032

Nc1ccn2ncc(C(=O)Nc3cnoc3-c3cccc(Cl)c3)c2n1

BDBM50399033

Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cccc(Cl)c3)c2n1

BDBM50399009

Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1

BDBM50399010

Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1

BDBM50399011

Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1

BDBM50399088

FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1

BDBM50399710

Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|

BDBM50400312

C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.28|

BDBM50400602

CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50400600

CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50400601

CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50400899

Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1

BDBM50400902

Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3

BDBM50400903

Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1

BDBM50400889

Cc1cccc(Sc2ccccc2N2CCNCC2)c1C

BDBM50400890

Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl

BDBM50400892

Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C

BDBM50400880

Cc1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM50400882

Clc1ccc(Sc2ccccc2N2CCNCC2)cc1

BDBM50401086

COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|

BDBM50401097

Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O

BDBM50401154

COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1

BDBM50401421

Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1

BDBM50401557

Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

BDBM50401549

Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1

BDBM50402074

CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3

BDBM50411560

CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1

BDBM50412340

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|

BDBM50412728

C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|

BDBM50414954

CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1

BDBM50414955

CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1

BDBM50415011

Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl

BDBM50359023

Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

BDBM50416285

OC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

BDBM50416304

OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

BDBM50416281

Clc1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1

BDBM50416305

OCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

BDBM50027776

C#Cc1ccc(cc1)-c1ccccc1

BDBM50027793

CC#Cc1ccc2ccc3cccc4ccc1c2c34

BDBM50028091

COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F

BDBM50027779

C#Cc1cc2cccc3ccc4cccc1c4c23

BDBM50027784

C#Cc1cc2ccccc2c2ccccc12

BDBM50418081

Cc1c(ssc1=S)-c1cnccn1

BDBM50418082

CC#Cc1ccc(cc1)-c1ccccc1

BDBM50000541

CC(N(O)C(N)=O)c1cc2ccccc2s1

BDBM50418083

C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|

BDBM50320449

C[C@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|

BDBM50336507

c1cnccc1C(=O)NN

BDBM50418124

CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C

BDBM50418123

CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C

BDBM50418613

Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1

BDBM50418606

Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1

BDBM50111469

Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1

BDBM50419279

Cc1nc(no1)-c1ccc(OCC2CN(C2)c2ccc(C)nn2)cc1

BDBM50419355

C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r|

BDBM50419356

C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r|

BDBM50419561

C[C@H](NC(=O)c1c(C)nn(C2CCOCC2)c1NS(=O)(=O)c1ccc(cc1)C1CC1)C(C)(C)C |r|

BDBM50419562

CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)|

BDBM50420297

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NC[C@@H](O)CO)nc12 |r|

BDBM50420836

CC(C)c1nc(no1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1 |r|

BDBM50424031

CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|

BDBM50425648

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|

BDBM50425649

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|

BDBM50426305

CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 |r|

BDBM50426399

CCn1ncc(Nc2ncc(c(NC)n2)C(F)(F)F)c1C

BDBM50426400

CCn1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1

BDBM50426401

CNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F

BDBM50426402

CNc1nc(Nc2cnn(C)c2C)ncc1C(F)(F)F

BDBM50426395

CNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F

BDBM50426403

CNc1nc(Nc2cnn(CC(C)(C)O)c2Cl)ncc1C(F)(F)F

BDBM50426404

CNc1nc(Nc2cnn(CC(C)(C)O)c2C)ncc1C(F)(F)F

BDBM50426405

CNc1nc(Nc2cnn(CC(C)(C)C#N)c2C)ncc1C(F)(F)F

BDBM50426406

CNc1nc(Nc2cnn(CCC#N)c2C)ncc1C(F)(F)F

BDBM50426407

CNc1nc(Nc2cn(CCC#N)nc2C)ncc1C(F)(F)F

BDBM50426408

CNc1nc(Nc2cnn(CCOC)c2C)ncc1C(F)(F)F

BDBM50426409

CNc1nc(Nc2cn(CCOC)nc2C)ncc1C(F)(F)F

BDBM50426410

CNc1nc(Nc2cnn(C(C)C)c2C)ncc1C(F)(F)F

BDBM50426411

CNc1nc(Nc2cn(nc2C)C(C)C)ncc1C(F)(F)F

BDBM98282

COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)|

BDBM50427065

COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F

BDBM87123

Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1

BDBM50427800

C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|

BDBM50428101

CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1

BDBM50428594

CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

BDBM50428613

CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O

BDBM50273292

Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|

BDBM50431031

CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|

BDBM50431096

CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2

BDBM50431134

COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1

BDBM50431135

COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1

BDBM50431138

COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1

BDBM50432233

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(CO)cc1 |r|

BDBM50432234

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|

BDBM50432235

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r|

BDBM50432236

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r|

BDBM50432670

Oc1cc(oc2cccc(=O)c12)-c1cccc(OCC#C)c1

BDBM50432680

O=c1cc(oc2ccc3ccccc3c12)-c1ccc(OCC#C)cc1

BDBM50049385

Oc1cccc2oc(cc(=O)c12)-c1ccccc1

BDBM50432672

Oc1cc2OCC=Cc2c2oc(cc(=O)c12)-c1ccccc1 |c:6|

BDBM50432673

Oc1cc(OCC#C)cc2oc(cc(=O)c12)-c1ccccc1

BDBM50432677

O=c1cc(oc2c3C=CCOc3ccc12)-c1ccccc1 |c:7|

BDBM50432678

O=c1cc(oc2ccc3OCC=Cc3c12)-c1ccccc1 |c:11|

BDBM50432679

O=c1cc(oc2ccc3C=CCOc3c12)-c1ccccc1 |c:9|

BDBM50432667

Oc1cc(oc2cccc(=O)c12)-c1ccc(OCC#C)cc1

BDBM50433324

c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br

BDBM50433325

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3

BDBM50433326

Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3

BDBM50433366

COC(=S)NC[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCNN(CC2)C(=O)CO)c(F)c1 |r|

BDBM50433367

COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)CO)c(F)c1 |r|

BDBM50433368

CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1 |r|

BDBM50116067

CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|

BDBM50433859

FC(F)(F)COC(=O)N1C2CCC1CN(C2)c1ncc(OCc2ccncc2C#N)cn1

BDBM50420839

C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OCC(F)(F)F |r|

BDBM50433860

FC(F)(F)COC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2C#N)cn1

BDBM50433932

CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)S(=O)(=O)c1ccccc1)C(=O)c1nc2ccccc2o1 |r|

BDBM50434279

COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r|

BDBM50434786

C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O

BDBM50434787

C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O

BDBM50434789

C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O

BDBM50434791

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C1)NCC(F)(F)F |r|

BDBM50434793

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:18.24,wD:15.17,1.1,(18.07,-50.72,;17.31,-52.06,;15.77,-52.07,;18.09,-53.39,;17.47,-54.79,;18.62,-55.81,;18.62,-57.35,;19.95,-58.12,;21.28,-57.35,;22.75,-57.82,;23.65,-56.58,;22.75,-55.33,;21.28,-55.81,;19.94,-55.03,;19.61,-53.54,;20.68,-52.43,;22.17,-52.82,;23.24,-51.72,;22.83,-50.23,;21.34,-49.85,;20.26,-50.96,;23.91,-49.13,;25.4,-49.52,;26.48,-48.41,;27.97,-48.8,;26.06,-46.93,;27.56,-47.31,)|

BDBM50434797

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 |r|

BDBM50434976

COc1ccc(cc1)C#Cc1ccc(C(=O)N2CCC[C@@H](O)C2)c(F)c1 |r|

BDBM50435774

c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N

BDBM50436107

CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|

BDBM50437066

C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

BDBM50437067

C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

BDBM50437068

C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

BDBM50437069

C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|

BDBM50437204

CCC(CC)(Nc1nc(NC)nc(n1)-n1cncn1)C#N

BDBM50437353

CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

BDBM50437753

OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1 |(55.73,-27.91,;54.2,-27.92,;53.41,-26.59,;53.44,-29.26,;51.9,-29.27,;51.14,-30.61,;49.6,-30.63,;48.82,-29.3,;49.57,-27.96,;51.11,-27.95,;47.28,-29.32,;46.53,-30.67,;44.99,-30.68,;44.2,-29.35,;44.95,-28.02,;46.49,-27.99,;42.67,-29.37,;41.78,-30.63,;40.31,-30.17,;38.97,-30.95,;37.64,-30.19,;37.64,-28.65,;36.3,-27.89,;34.97,-28.66,;34.98,-30.2,;33.63,-27.9,;32.24,-28.53,;31.2,-27.4,;31.96,-26.06,;33.47,-26.37,;34.61,-25.34,;36.08,-25.81,;34.29,-23.83,;35.93,-24.55,;29.67,-27.56,;28.76,-26.32,;27.23,-26.49,;26.61,-27.9,;27.53,-29.15,;29.06,-28.97,;38.96,-27.87,;40.29,-28.63,;41.76,-28.14,)|

BDBM50437770

C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccn3)cc2)NC(=O)NC1=O |r|

BDBM50437791

C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r|

BDBM50437760

C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r|

BDBM50437782

C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r|

BDBM50437837

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1

BDBM50437838

O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1

BDBM50437841

COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1

BDBM50437842

CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1

BDBM50438582

Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1

BDBM50438759

COc1nc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccccc1C(F)(F)F |r|

BDBM50438760

COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](OCCn2n1)c1ccccc1C(F)(F)F |r|

BDBM50438761

COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccccc1C(F)(F)F |r|

BDBM50438762

COc1cc(ccc1-n1cnc(C)c1)-c1nc2[C@@H](CCCn2n1)c1ccc(F)cc1C |r|

BDBM50438845

CC(C)(C)n1nnnc1C(N1CCCC1)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1

BDBM50438846

CCN(CC)C(c1nnnn1C(C)(C)C)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1

BDBM50438913

CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50434821

c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl

BDBM50439025

Clc1cccc(Cl)c1C(=O)Nc1ccncc1

BDBM50439295

O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)N1Cc2ccncc2C1

BDBM50439296

O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1COC1)N1Cc2ccncc2C1

BDBM50439301

CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)N2Cc3ccncc3C2)cc1

BDBM50439302

Nc1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)N2Cc3ccncc3C2)cc1

BDBM50439303

Cc1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)N2Cc3ccncc3C2)cc1

BDBM50439304

O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)N1Cc2ccncc2C1

BDBM50436506

C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1C#N |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|

BDBM50439529

O=C(N1CCC2(CCCC2)C1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|

BDBM50439530

O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|

BDBM50439711

CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F

BDBM50439947

OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1

BDBM50319926

CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1

BDBM50439948

CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1

BDBM50440045

CCc1nc2c(Cc3ccc(cc3)C(=O)NO)cccc2c(=O)n1CCc1ccccc1

BDBM50440046

Cc1nc2cc(\C=C\C(=O)NO)ccc2c(=O)n1CCc1ccccc1

BDBM50440353

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C

BDBM50440354

COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1

BDBM50440355

COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1

BDBM50440356

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccncc1)C(C)(C)C

BDBM50440357

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(N)nc1)C(C)(C)C

BDBM50440358

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C

BDBM50440359

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1nncn1C)C(C)(C)C

BDBM50440360

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnn1)C(C)(C)C

BDBM50440361

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cnco1)C(C)(C)C

BDBM50440362

Cc1nnnn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1

BDBM50440363

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1csnn1)C(C)(C)C

BDBM50440364

Cc1cncn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1

BDBM50440365

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C

BDBM50440366

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1n[nH]c(=S)n1C)C(C)(C)C

BDBM50440367

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnc1)C(C)(C)C

BDBM50440368

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C

BDBM50440369

Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1

BDBM50440370

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C

BDBM50441232

CC1(COC1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1

BDBM50441557

CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|

BDBM50441620

CNC(=O)N1CCN(CCN1)c1ccc(cc1F)N1C[C@H](CNC(=S)OC)OC1=O |r|

BDBM50441621

COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)C(F)F)c(F)c1 |r|

BDBM50441713

CCc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|

BDBM50441716

OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cn2)cc1 |r|

BDBM50441717

Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|

BDBM50441718

Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|

BDBM50441719

Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 |r|

BDBM50442163

Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1

BDBM50442162

Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12

BDBM50442166

Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1

BDBM50396534

Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12

BDBM50442173

CN(C)C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc12

BDBM50442174

CN(C)C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc12

BDBM50442299

Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O

BDBM50443365

CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3F)c(C)c2cc1F

BDBM50443620

Fc1cc(ccc1-c1ccn2ncnc2c1)N1C[C@H](Cn2ccnn2)OC1=O |r|

BDBM50443621

Fc1cc(ccc1-c1ccn2ccnc2c1)N1C[C@H](Cn2ccnn2)OC1=O |r|

BDBM50443622

CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccn2ncnc2c1 |r|

BDBM50443623

CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccn2ccnc2c1 |r|

BDBM50443872

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r|

BDBM50443873

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1F)C#N |r|

BDBM50443874

COc1cccc(OC)c1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50443875

COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50443876

COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50443877

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |r|

BDBM50443878

COc1cccc(c1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50443879

COc1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50443880

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1)C#N |r|

BDBM50443871

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|

BDBM50443881

Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r|

BDBM50443882

Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|

BDBM50443883

Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccc(F)cc1

BDBM50443884

Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccccc1

BDBM50444320

COc1cc2ncn(-c3ccccc3)c2cc1OCc1ccc2ccccc2n1

BDBM50444321

Cc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1

BDBM50444322

CN(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1

BDBM50444323

CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1

BDBM50444324

CCCc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1

BDBM50444325

C(Oc1ccc2nc(C3CC3)n(-c3ccccc3)c2c1)c1ccc2ccccc2n1

BDBM50444326

CCc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1

BDBM50444327

COc1cc2nc(C(C)C)n(-c3ccccc3)c2cc1OCc1ccc2ccccc2n1

BDBM50444328

C(Oc1ccc2ncn(-c3ccncc3)c2c1)c1ccc2ccccc2n1

BDBM50444329

C(Oc1ccc2ncn(-c3ccccc3)c2c1)c1ccc2ccccc2n1

BDBM50444330

C(Oc1ccc2ncn(-c3ccncn3)c2c1)c1ccc2ccccc2n1

BDBM50444331

COCc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1

BDBM50444436

Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl

BDBM50444437

Nc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1

BDBM50444438

Cc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1

BDBM50444546

CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1

BDBM50444547

Cc1ccc(cc1)C(NCCNc1ccnc2cc(Cl)ccc12)c1nnnn1C(C)(C)C

BDBM50445222

Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r|

BDBM50445346

CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|

BDBM50445571

C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)|

BDBM50446304

COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@H]3F)c2n1 |r|

BDBM50446305

COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r|

BDBM50446303

COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@H]3CCNC[C@@H]3F)c2n1 |r|

BDBM50446306

COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OC3CCNCC3)c2n1

BDBM50447388

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|

BDBM50447389

CC(C)CN(CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)[C@H](CCN1CCOCC1)NC(=O)N(C)Cc1csc(n1)C(C)C |r|

BDBM50447390

CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CCN(Cc2ccccc2)C(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447391

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](CCN(Cc1ccccc1)C(=O)OCc1cncs1)Cc1ccccc1 |r|

BDBM50447392

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N(CCCCN(Cc1ccccc1)C(=O)OCc1cncs1)Cc1ccccc1 |r|

BDBM50447393

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@@H](CC[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|

BDBM50447394

CC[C@@H](CC[C@H](CC)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(C)C)NC(=O)OCc1cncs1 |r|

BDBM50447395

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|

BDBM520

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

BDBM50447466

CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447467

CC(C)c1nc(CN(C)C(=O)N[C@@H](CCNC(C)=O)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447468

CC(C)c1nc(CN(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447469

CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cn(C)cn2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447470

CC(C)c1nc(CN(C)C(=O)N[C@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447471

CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc3ccccc3)NC(=O)OCc4cncs4)Cc5ccccc5

BDBM50447472

CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|

BDBM50447538

Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F |r|

BDBM50447539

FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1 |r|

BDBM50447541

FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(c(Br)s1)C(F)(F)F)c1ccc(Cl)cn1 |r|

BDBM50447555

FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2c(F)cc(F)cc2[nH]1)c1ccc(Cl)cn1 |r|

BDBM50447533

FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cn1 |r|

BDBM50447534

FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r|

BDBM50392512

FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CCCC1)c1ccc(Cl)cn1 |r|

BDBM50447889

CN1C[C@H]2[C@H](CN(Cc3ccc(Cl)c(F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r|

BDBM50447890

Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r|

BDBM50447891

Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)c1ccccn1 |r|

BDBM50447892

Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 |r|

BDBM50391745

CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1

BDBM50447893

CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r|

BDBM50448114

CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F

BDBM50448118

Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F

BDBM50448295

O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |r,c:3|

BDBM50448294

O=C1NN=C([C@@H]2C[C@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |r,c:3|

BDBM50448434

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CC2(CN1C(=O)[C@@H](NC(=O)OC)C(C)C)OCCO2 |r|

BDBM50448448

O[C@H]1[C@H]2C[C@H]2C[C@@H]1N1CCN(CC1=O)C(=O)c1nn2c(cc(cc2c1Cl)C1CC1)C(F)(F)F |r|

BDBM50448471

OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)C1CCCC1 |r|

BDBM50448495

COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CN(Cc1ccccc1)C2)C(=O)NS(=O)(=O)N(C)C |TLB:27:29:42.34.33:31,THB:35:34:29:31|

BDBM50448496

CCN1CC2CC(C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C |r,TLB:9:8:3.2.7:5,1:2:8:5|

BDBM50448497

COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |r,TLB:27:29:36.34.33:31,THB:35:34:29:31|

BDBM50448494

COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CNC2)C(=O)NS(=O)(=O)N(C)C |TLB:27:29:35.34.33:31|

BDBM50448498

COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |r,THB:36:35:29:31.32|

BDBM50448611

O=C(Nc1ccc(cc1)S(=O)(=O)c1cnn(c1)C1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r|

BDBM50448612

CC(C)n1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 |r|

BDBM50448613

CC(C)n1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r|

BDBM50448614

CCCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 |r|

BDBM50448615

CCCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r|

BDBM50448616

FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r|

BDBM50448617

CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r|

BDBM50448618

O=C(Nc1ccc(cc1)S(=O)(=O)C1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r|

BDBM50448619

O=C(Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2)[C@@H]1C[C@H]1c1cccnc1 |r|

BDBM50448620

Nc1ccc(cn1)[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 |r|

BDBM50448621

c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4

BDBM50448622

O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1c1cccnc1 |r|

BDBM50448735

Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(Cl)cc3C(F)(F)F)CCn2c1=O

BDBM50448736

Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(F)cc3C(F)(F)F)CCn2c1=O

BDBM50448866

CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(N)=O)n(CC)n1 |r|

BDBM50448861

CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC

BDBM50449137

OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(cc12)C(F)(F)F

BDBM50006830

CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|

BDBM50012189

COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1 |r|

BDBM50014432

C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|

BDBM50014433

C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|

BDBM50014548

O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|

BDBM50014549

Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|

BDBM50014550

O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)|

BDBM50014551

Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(13.49,-14.18,;14.83,-13.41,;14.83,-11.87,;16.16,-11.1,;15.92,-9.57,;14.45,-9.12,;16.97,-8.43,;18.51,-8.55,;19.38,-9.82,;18.94,-11.29,;19.88,-12.64,;18.97,-13.89,;17.49,-13.41,;16.16,-14.18,;17.5,-11.87,;16.41,-6.99,;14.88,-6.77,;14.32,-5.33,;15.28,-4.13,;16.81,-4.36,;17.36,-5.79,;16.41,-4.76,;15.65,-6.09,)|

BDBM50014552

Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|

BDBM50014554

COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(1.85,-13.55,;3.19,-14.32,;4.52,-13.55,;4.52,-12.01,;5.85,-11.24,;5.61,-9.71,;4.14,-9.26,;6.67,-8.57,;8.2,-8.69,;9.08,-9.96,;8.63,-11.43,;9.57,-12.78,;8.66,-14.03,;7.19,-13.55,;5.85,-14.32,;7.19,-12.01,;6.1,-7.13,;4.57,-6.91,;4.01,-5.47,;4.98,-4.27,;6.5,-4.5,;7.06,-5.93,;6.1,-4.9,;5.34,-6.23,)|

BDBM50014556

O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)|

BDBM50014739

COCCn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1

BDBM50015448

C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1

BDBM50015639

Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1

BDBM50016217

Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 |r|

BDBM50016941

Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1

BDBM50017297

Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:13.14,16.21,(20.88,-1.83,;21.8,-3.06,;23.32,-2.87,;24.25,-4.11,;23.64,-5.52,;22.11,-5.7,;21.23,-6.95,;19.76,-6.49,;19.74,-4.96,;21.2,-4.46,;18.53,-7.41,;18.53,-8.95,;17.19,-6.63,;15.85,-7.41,;15.84,-8.95,;14.51,-9.72,;13.17,-8.95,;13.17,-7.41,;14.51,-6.64,;11.84,-9.72,;10.5,-8.96,;10.49,-7.41,;9.17,-9.73,;7.83,-8.97,;6.49,-9.74,;5.15,-8.97,;6.49,-11.29,;7.83,-12.06,;9.17,-11.29,;10.51,-12.06,;10.51,-13.6,;9.17,-14.37,;9.17,-15.91,;10.51,-16.69,;11.85,-15.9,;11.84,-14.36,;13.19,-16.67,;13.19,-18.21,;14.53,-18.97,;15.87,-18.2,;17.2,-18.96,;17.21,-20.5,;15.88,-21.26,;15.88,-22.79,;17.22,-23.56,;18.55,-22.79,;18.54,-21.25,;17.21,-25.09,;15.97,-25.99,;16.44,-27.46,;17.98,-27.45,;18.45,-25.99,;15.85,-16.65,;14.51,-15.89,)|

BDBM50017299

C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4c(C)cccc4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,48.54,1.0,(14.61,-38.85,;15.94,-38.08,;15.93,-36.55,;17.26,-35.78,;17.25,-34.25,;15.92,-33.49,;14.59,-34.26,;13.25,-33.5,;13.24,-31.96,;14.57,-31.17,;15.91,-31.94,;11.91,-31.19,;10.57,-31.98,;9.23,-31.2,;9.23,-29.66,;10.57,-28.89,;10.56,-27.35,;9.23,-26.58,;7.89,-27.36,;6.54,-26.58,;6.55,-25.03,;5.21,-24.26,;7.88,-24.26,;9.22,-25.02,;10.55,-24.25,;10.55,-22.71,;11.89,-25.01,;13.22,-24.24,;14.57,-25.01,;15.9,-24.25,;15.9,-22.7,;14.56,-21.93,;13.22,-22.71,;17.24,-21.93,;18.58,-22.7,;18.58,-24.25,;19.81,-21.78,;19.79,-20.26,;21.25,-19.76,;21.85,-18.36,;20.93,-17.13,;23.37,-18.17,;24.29,-19.41,;23.68,-20.82,;22.16,-21,;21.28,-22.25,;11.9,-29.65,;18.59,-36.53,;18.6,-38.07,;19.93,-38.84,;17.27,-38.85,)|

BDBM50017338

C[C@H]1CN(CCCc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1 |r,wU:32.37,29.30,47.52,1.0,(24.33,-19.69,;23,-18.93,;21.68,-19.7,;20.35,-18.93,;19.02,-19.7,;17.69,-18.94,;16.36,-19.72,;15.03,-18.96,;13.7,-19.73,;12.36,-18.97,;12.35,-17.43,;13.68,-16.65,;15.02,-17.41,;11.02,-16.66,;9.68,-17.45,;8.34,-16.67,;8.34,-15.13,;9.68,-14.37,;9.67,-12.82,;8.34,-12.05,;7,-12.83,;5.66,-12.05,;5.66,-10.5,;4.32,-9.74,;7,-9.74,;8.33,-10.5,;9.67,-9.73,;9.66,-8.18,;11,-10.49,;12.34,-9.72,;13.68,-10.49,;15.01,-9.72,;15.01,-8.18,;13.67,-7.4,;12.33,-8.18,;16.35,-7.4,;17.68,-8.18,;17.68,-9.72,;18.9,-7.23,;18.85,-5.7,;20.3,-5.18,;20.73,-3.71,;21.25,-6.4,;22.79,-6.35,;20.38,-7.67,;11.01,-15.12,;20.33,-17.4,;21.66,-16.63,;21.66,-15.09,;23,-17.39,)|

BDBM50017339

Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CCN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,13.17,(20.81,-18.66,;20.38,-20.13,;18.93,-20.66,;18.98,-22.18,;20.46,-22.63,;21.33,-21.35,;22.87,-21.3,;17.76,-23.13,;17.76,-24.67,;16.43,-22.36,;15.08,-23.13,;15.08,-24.67,;13.75,-25.44,;12.41,-24.67,;12.4,-23.13,;13.74,-22.36,;11.08,-25.44,;9.74,-24.68,;9.73,-23.14,;8.41,-25.45,;7.07,-24.69,;5.73,-25.46,;4.4,-24.69,;5.73,-27.01,;7.07,-27.78,;8.41,-27.01,;9.75,-27.78,;9.75,-29.32,;8.41,-30.09,;8.42,-31.63,;9.75,-32.4,;11.09,-31.62,;11.08,-30.08,;12.43,-32.38,;12.43,-33.93,;13.77,-34.69,;15.1,-33.91,;16.44,-34.67,;17.77,-33.9,;19.1,-34.66,;19.1,-36.19,;20.42,-36.95,;21.75,-36.19,;21.75,-34.65,;20.41,-33.88,;23.08,-36.95,;23.24,-38.48,;24.74,-38.8,;25.51,-37.46,;24.47,-36.33,;15.09,-32.36,;13.75,-31.6,)|

BDBM104500

Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|

BDBM50019139

CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|

BDBM50019650

[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1ccccn1 |r|

BDBM50019651

[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cccc(CO)c1 |r|

BDBM50019589

[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(CO)c1 |r|

BDBM50019590

[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(N)c1 |r|

BDBM50019591

[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(NC(=O)CN2CCCC(O)C2)c1 |r|

BDBM50019648

[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(NC(=O)CN2CCC(O)CC2)c1 |r|

BDBM50019649

C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C

BDBM50019652

COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc23)c1C

BDBM50019655

COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C

BDBM50019656

CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C

BDBM50019657

Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO

BDBM50019658

COc1cnc2c(cn(Cc3ncnc(OC)c3C)c2c1)C(=O)NCCO

BDBM50019659

COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO

BDBM50019887

CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12

BDBM50019867

CC(=O)N1CCc2cc(ccc12)-c1cnccc1C

BDBM50020035

c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3

BDBM50020036

CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|

BDBM50020037

O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1 |r|

BDBM50020408

Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl

BDBM50020415

CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1

BDBM50020412

Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F

BDBM50020411

CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F

BDBM50020404

Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F

BDBM50021822

COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC

BDBM50021823

Fc1ccc(Oc2ncnc3[nH]ccc23)cc1

BDBM50021821

Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1

BDBM50021820

Fc1ccc(Oc2nccc3[nH]ccc23)cc1

BDBM50022077

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(F)cc1

BDBM50022078

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(F)cc1

BDBM50022079

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(F)cc1

BDBM50022080

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1

BDBM50022081

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1

BDBM50022082

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(F)cc1

BDBM50022083

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(Cl)cc1

BDBM50022084

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(Cl)cc1

BDBM50022085

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(OC(F)(F)F)cc1

BDBM50022086

CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F

BDBM50022759

Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1

BDBM50023279

Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|

BDBM50024356

[H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|

BDBM50025225

OCCONC(=O)c1ccn2cncc2c1Nc1ccc(I)cc1F

BDBM50025226

c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO

BDBM50420701

OCCONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F

BDBM50025224

OCCONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F

BDBM50026727

C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1

BDBM50026728

Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl

BDBM50026729

Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl

BDBM50026730

CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1

BDBM84745

CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

BDBM50026731

Clc1ccc(CN(C2CNC2)C2CCCCC2)cc1

BDBM50026732

Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1

BDBM50026733

Clc1cccc(c1)N(Cc1ccc2ccccc2c1)C1CNC1

BDBM50026734

Clc1ccccc1CN(CC1CNC1)c1ccccc1

BDBM50026821

CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12

BDBM50027074

C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|

BDBM50027083

Clc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|

BDBM50028128

C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|

BDBM50028142

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|

BDBM50031314

Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12

BDBM50361639

Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2

BDBM50361640

COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1

BDBM50265079

CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4

BDBM16596

Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F

BDBM50398052

Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1

BDBM50032857

CCOc1cc(NC(=O)C2(CCC2)NC(=O)c2ccc3c(C4CCCC4)c(-c4ncc(Cl)cn4)n(C)c3c2)ccc1\C=C\C(O)=O

BDBM50033373

CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

BDBM50033374

CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C

BDBM50033375

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1

BDBM50033376

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C

BDBM50034505

CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|

BDBM50034510

CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|

BDBM50034554

CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12

BDBM50034555

CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1

BDBM50034556

CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12

BDBM50034557

CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12

BDBM50032693

CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C

BDBM50035810

C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F

BDBM50036635

COc1ccc(cn1)-c1nc(CS(=O)(=O)c2cccc(Cl)c2)nc2ccsc12

BDBM50037205

COc1ccccc1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1

BDBM50037212

OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r|

BDBM50041430

CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(CCO)C1

BDBM50041691

OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r|

BDBM50041893

CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|

BDBM50041896

CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|

BDBM50041983

CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r|

BDBM50043409

C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|

BDBM50043411

C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r|

BDBM50044135

C1CCCC(CCC1)c1cccnc1

BDBM50044657

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|

BDBM50044665

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|

BDBM50044666

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|

BDBM50044663

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2cn[nH]c2c1 |r|

BDBM50044671

O=C1Nc2ccccc2\C1=C\c1ccc2cn[nH]c2c1

BDBM50044660

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1 |r|

BDBM50044656

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|

BDBM50044675

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 |r|

BDBM50044674

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|

BDBM50044669

Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|

BDBM50044670

CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|

BDBM50044833

CCCNc1cc(NC(=O)c2ccccc2)cc(c1)C(F)(F)F

BDBM50044839

CCCNc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F

BDBM50047394

O=C1CCCn2nc(COc3ccccc3)cc12

BDBM50047406

CC1(C)CCn2nc(COc3ccccc3)cc2C1=O

BDBM50047700

Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1

BDBM50243895

Clc1ccc(cc1Cl)C12CC1CNC2

BDBM50048169

Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1

BDBM50048171

Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1

BDBM50048172

Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1

BDBM50048174

Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1

BDBM50051939

Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O

BDBM50040030

OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|

BDBM50052249

OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1 |c:1|

BDBM50052254

OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|

BDBM50052259

OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1|

BDBM50052401

OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(cccc1C(F)(F)F)C(F)(F)F |c:1|

BDBM50052246

OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|

BDBM50052247

OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1|

BDBM50053306

CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

BDBM50053304

NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12

BDBM50053305

CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

BDBM50054691

c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5

BDBM50054795

COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1

BDBM50054796

COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1

BDBM50059654

Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1

BDBM50060828

CC(C)CN1CCC(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1

BDBM50060826

O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)c1cc2ccncc2o1

BDBM50060825

O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)c1cc2cnccc2[nH]1

BDBM50060823

CC(C)CN1CCC(CC1)[S+]([O-])c1ccc(CNC(=O)c2cc3ccncc3o2)cc1

BDBM50060818

CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1

BDBM50060817

CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1

BDBM50060813

Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1

BDBM50060769

[O-][S+](c1ccc(CNC(=O)c2cc3ccncc3o2)nc1)c1cc(F)cc(F)c1

BDBM50060766

CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1

BDBM50060763

CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1

BDBM50061717

COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r|

BDBM50064140

CC(C)C1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F

BDBM50064141

CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F

BDBM50064142

Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOC(C1)C1CCC1

BDBM50064143

C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064146

C[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064152

C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064154

[H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064156

[H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064157

[H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064444

Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O

BDBM50065003

CC(CCN1CCOCC1)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1

BDBM50067200

COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1csc(C)n1

BDBM50067202

COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C

BDBM50067203

CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)c1C

BDBM50067206

COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1

BDBM50067207

CC(C)c1cc(on1)CNC(=O)c2ccc(c(c2)OC3CCN(CC3)C)OC

BDBM50067209

COc1ccc(cc1OCCN1CCCCC1)C(=O)NCc1cc(no1)C(C)C

BDBM50069813

[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)NC |r|

BDBM50069858

[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1cnccn1)C(=O)NC |r|

BDBM50069982

[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccco1)C(=O)NC |r|

BDBM50069812

[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|

BDBM120086

c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl

BDBM50428331

Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1

BDBM50044143

Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C

BDBM50078748

C[C@@]1(CCN(C1=O)c1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)NO |r|

BDBM50079578

C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18|

BDBM50079579

C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11|

BDBM50079576

[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|

BDBM50079575

[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|

BDBM50081199

Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nccc(n1)C(C#N)c1ccccn1

BDBM50081200

Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1

BDBM50081400

Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1

BDBM50081274

Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1cccc(n1)C(F)(F)F

BDBM50081280

C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|

BDBM50081288

C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccccc1)C(=O)c1ccc(F)cc1 |r|

BDBM50081293

C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081301

C[C@H]1N(CCn2c1nnc2-c1cncc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081194

C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081195

C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081363

Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1

BDBM50081394

C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081396

CC(C)c1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081196

CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081399

C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081197

C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50081198

C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|

BDBM50435005

CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1

BDBM50081468

CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1

BDBM136570

C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4|

BDBM148176

C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4|

BDBM41536

Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N

BDBM50081645

[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5|

BDBM148173

NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1|

BDBM50081646

[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5|

BDBM136576

C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4|

BDBM50081642

[H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8|

BDBM136574

Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|

BDBM136583

Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|

BDBM50081710

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccccc1F

BDBM50081711

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(F)c1

BDBM50081712

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(F)cc1

BDBM50081715

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccccc1Cl

BDBM50081716

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(Cl)c1

BDBM50081718

COc1ccccc1-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1

BDBM50081720

COc1ccc(cc1)-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1

BDBM50081721

COc1ccc(cc1OC)-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1

BDBM50081722

COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1

BDBM50081723

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(OCc2ccccc2)cc1

BDBM50081739

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

BDBM50081740

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccc(O)cc1

BDBM50081741

COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1ccccc1O

BDBM50081805

COc1ccc(OC)c2c3oc(-c4ccccc4)c(O)c(=O)c3cc(OC)c12

BDBM50081873

COc1ccc(OC)c2c1c(OC)cc1c2oc(c(O)c1=O)-c1ccccc1F

BDBM50081874

COc1ccc(OC)c2c1c(OC)cc1c2oc(-c2cccc(F)c2)c(O)c1=O

BDBM50081875

COc1ccc(OC)c2c1c(OC)cc1c2oc(-c2ccc(F)cc2)c(O)c1=O

BDBM50081876

COc1ccc(OC)c2c1c(OC)cc1c2oc(c(O)c1=O)-c1ccccc1Cl

BDBM50081877

COc1ccc(OC)c2c1c(OC)cc1c2oc(-c2cccc(Cl)c2)c(O)c1=O

BDBM50081878

COc1ccc(OC)c2c1c(OC)cc1c2oc(-c2ccc(Cl)cc2)c(O)c1=O

BDBM50081934

COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOC(=O)CN)c(=O)c3cc(OC)c12

BDBM50081937

COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOC(=O)[C@H](C)N)c(=O)c3cc(OC)c12

BDBM50081651

COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOC(=O)[C@@H](N)C(C)C)c(=O)c3cc(OC)c12

BDBM50081667

COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOCCOC(=O)CN)c(=O)c3cc(OC)c12

BDBM50081668

COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOCCOCCOC(=O)CN)c(=O)c3cc(OC)c12

BDBM50081708

COc1ccc(OC)c2c3oc(-c4cccc(F)c4)c(OCCOCCOCCOCCOC(=O)CN)c(=O)c3cc(OC)c12

BDBM50086717

CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(F)(F)F)nc2c1

BDBM50448437

CCCCCCCC\C=C/CCCCCCCC([O-])=O

BDBM50448435

CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O

BDBM50088435

CCCCCC=C/CC=C/CC=C/CC=C/CCCC([O-])=O

BDBM50062551

[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|

BDBM50363928

CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1

BDBM50088490

CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 |r|

BDBM50088503

Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r|

BDBM50225074

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|

BDBM11543

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16|

BDBM50088506

CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1

BDBM50089373

OC(=O)\C=C/C(O)=O.CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1

BDBM50090462

CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl

BDBM50091324

[H][C@@]12CC(C)(C)CC[C@]11CC[C@]3(C)[C@]2(N(C2CCCCC2)C1=O)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@]2([H])CC[C@@]31C |r,t:29,33,THB:22:21:11.10.9:1,15:14:11.10.9:1|

BDBM50091323

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=O |r,t:19,23|

BDBM50092813

[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r|

BDBM50092812

[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r|

BDBM50092814

[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|

BDBM50029064

COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC |r|

BDBM50093793

Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F

BDBM50095309

Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r|

BDBM50095967

COc1ccc2[C@@H](C(C)C)N(CCc2c1)C(=O)CNCC1(O)CCCCC1 |r|

BDBM50095968

COc1ccc2[C@H](C(C)C)N(CCc2c1)C(=O)CNCC1(O)CCCCC1 |r|

BDBM50097166

CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1

BDBM50100556

CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12

BDBM50100557

CN1CCN(C(=O)c2cnc(O)nc2Oc2cc(Cl)ccc2Cl)c2ccccc12

BDBM50100558

CN1CCN(C(=O)C2(CC2)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc12

BDBM50101586

COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|

BDBM50101802

COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12 |r|

BDBM50241293

CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1

BDBM50436176

COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C |c:4,9|

BDBM8610

CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

BDBM24226

COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F

BDBM50070208

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

BDBM50331515

c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F

BDBM31774

c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4

BDBM81939

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

BDBM20607

CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3

BDBM50139181

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

BDBM50334150

c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F

BDBM50062614

CN(C)CCOC(c1ccccc1)c1ccccc1C

BDBM50101815

COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9|

BDBM50151865

c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O

BDBM22876

[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12

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

BDBM21398

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

BDBM50423541

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C

BDBM78577

CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3

BDBM50043280

CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C

BDBM50130273

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

BDBM50017702

Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1

BDBM25756

COCCc1ccc(OCC(O)CNC(C)C)cc1

BDBM50001888

CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

BDBM50158460

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

BDBM50001884

CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl

BDBM50101971

COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,12|

BDBM50045000

CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1

BDBM41132

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|

BDBM50101817

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC

BDBM79021

CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

BDBM85509

c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl

BDBM50103601

[H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|

BDBM78934

CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F

BDBM50103543

C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|

BDBM50106739

COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O |r|

BDBM50446847

C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|

BDBM50109702

Clc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1

BDBM50110188

Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1

BDBM50112244

C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 |r|

BDBM50112243

C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(F)cc1 |r|

BDBM50112242

CC(C)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|

BDBM50112183

Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1

BDBM50112182

Cc1nsc(n1)-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2(C)C

BDBM50112181

C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1 |r|

BDBM50112180

C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|

BDBM50112179

C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1 |r|

BDBM50112245

Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1 |r|

BDBM50112346

[H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r|

BDBM50113259

Cc1cc2c(ccc3c2oc(cc3=O)-c2ccccc2)o1

BDBM50113260

Cc1cc2c(cc(O)c3c2oc(cc3=O)-c2ccccc2)o1

BDBM50113261

O=c1cc(oc2c3cccnc3ccc12)-c1ccccc1

BDBM50113262

O=c1cc(oc2c3OCOc3ccc12)-c1ccccc1

BDBM50113265

O=c1cc(-c2ccccc2)c2ccc3OCC=Cc3c2o1 |c:17|

BDBM50113266

Cc1c(-c2ccccc2)c2ccc3OCC=Cc3c2oc1=O |c:16|

BDBM50113267

Cc1cc(=O)oc2c3C=CCOc3ccc12 |c:8|

BDBM50113268

FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12 |c:11|

BDBM50113269

Cc1cc2c(ccc3c(cc(=O)oc23)-c2ccccc2)o1

BDBM50113271

Cc1cc2c(ccc3c(-c4ccccc4)c(C)c(=O)oc23)o1

BDBM50113272

Cc1cc2c(ccc3c(C)cc(=O)oc23)o1

BDBM50113273

Cc1cc2c(ccc3c(cc(=O)oc23)C(F)(F)F)o1

BDBM50113274

Cc1cc(=O)oc2c1ccc1ncccc21

BDBM50113275

O=c1cc(-c2ccccc2)c2ccc3OCOc3c2o1

BDBM50113476

c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N

BDBM50113980

CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|

BDBM50113979

CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|

BDBM50114568

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC)c3ccccc3)cc2C(F)(F)F)c(c1)C(F)(F)F)c1ccccc1 |r|

BDBM50114571

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(F)c1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1F)c1ccccc1 |r|

BDBM50114572

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(Cl)c1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1Cl)c1ccccc1 |r|

BDBM50114573

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(C)(C)c2c1)c1ccccc1 |r|

BDBM50114574

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(F)(F)c2c1)c1ccccc1 |r|

BDBM50115393

OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r|

BDBM50119622

Oc1ncccc1C(=O)NCCCCNC(=O)c1cc(on1)-c1ccccc1

BDBM50121070

Oc1ccc2c3CCCCCc3c(=O)oc2c1

BDBM50122111

C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1F |r|

BDBM50122318

CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6

BDBM50122650

[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|

BDBM50123453

C[C@@H]1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C

BDBM50127965

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1

BDBM50127985

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1

BDBM50127993

Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1

BDBM50128021

Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl

BDBM50130505

Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1

BDBM50130927

[H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|

BDBM50132507

CC(=O)N1CCCn2nc(COc3ccccc3)cc12

BDBM50133595

COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O

BDBM50136226

CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12

BDBM50139860

Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C

BDBM50139861

Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C

BDBM50139852

Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O

BDBM50139853

Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)-c1ncco1

BDBM50140255

Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1

BDBM50142266

COc1cc(CNC(=O)c2cc(nc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)ccc1F |r|

BDBM50143059

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O

BDBM50143060

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O

BDBM50143061

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O

BDBM50143062

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O

BDBM50143063

Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O

BDBM50146154

[H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|

BDBM50149548

CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r|

BDBM50149566

CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C

BDBM50150052

CN1CC(=O)OB(OC(=O)C1)c1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1

BDBM50153594

Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C

BDBM50154847

Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1

BDBM50154843

Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2F)C(F)(F)F)n1C

BDBM50154850

Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)n1C

BDBM50154842

Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C

BDBM50154851

Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1

BDBM50154841

CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12

BDBM50154848

Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2F)nnc1-c1cnccn1

BDBM50154844

Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cccnc1

BDBM50154845

Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cc[nH]c(=O)c1

BDBM50154846

Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(=O)n(C)c1

BDBM50154849

Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1

BDBM50156231

Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1

BDBM50156232

Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1

BDBM50156233

Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1

BDBM50156234

Cc1ccncc1-c1cccc2n(ncc12)-c1cnccn1

BDBM50156235

Cc1ccncc1-c1cccc2n(ncc12)-c1nccs1

BDBM50156236

Cc1ccncc1-c1cccc2n(ncc12)-c1cscn1

BDBM50391839

Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1

BDBM50391840

Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1

BDBM50156237

Cc1ccncc1-c1cccc2n(cnc12)-c1nccs1

BDBM50156238

Cc1ccncc1-c1cccc2n(cnc12)-c1cscn1

BDBM50391846

Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12

BDBM50156281

Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1

BDBM50156671

OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1

BDBM50159578

Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1

BDBM50160418

CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21

BDBM142234

Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1

BDBM50156672

OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1

BDBM50166956

CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1

BDBM50166968

Nc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1

BDBM50167274

Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|

BDBM50167275

Clc1ccc2c(c1)n(-c1cccnc1)c1cn[nH]c21

BDBM50167276

Fc1cc2n(-c3cccnc3)c3cn[nH]c3c2cc1F

BDBM50167277

Fc1ccc2n(-c3cccnc3)c3cn[nH]c3c2c1

BDBM50167285

Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|

BDBM50167281

Cc1nc2n(C)cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.81,-3.87,;-1.69,-4.39,;-1.56,-5.95,;-.15,-6.58,;.31,-8.04,;-.43,-9.03,;1.85,-8.06,;2.33,-6.62,;1.11,-5.7,;.98,-4.16,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)|

BDBM50167280

OCCNC(=O)c1ccc(cc1)-n1c2cn[nH]c2c2cc(F)ccc12

BDBM50167279

Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)|

BDBM50167278

Nc1ncc(cc1Cl)-n1c2cn[nH]c2c2cc(F)ccc12

BDBM50167914

Cc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167915

FC(F)(F)c1cc(-c2ccc3nccn3c2)c2cn[nH]c2c1

BDBM50167916

FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1

BDBM50167917

FC(F)(F)c1cc(-c2cncnc2)c2cn[nH]c2c1

BDBM50167918

Cn1nccc1-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167919

COc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167920

Fc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167921

COc1ncc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167922

COc1ccc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167923

COc1nc(N)ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167924

CNC(=O)c1ccc(c(OC)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167925

COc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO

BDBM50167926

OCCNC(=O)c1ccc(c(F)c1)-c1cc(cc2[nH]ncc12)C(F)(F)F

BDBM50167927

Cc1cc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO

BDBM50167928

Cc1cc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)C(=O)NCCO

BDBM50167959

Cc1nc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@H](O)C1 |r|

BDBM50167960

Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1 |r|

BDBM50167961

Cc1nc(ncc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@H](O)C1 |r|

BDBM50169351

COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27|

BDBM50169425

Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1

BDBM50169438

Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncccn1

BDBM50169695

CCCC1N(CCCC1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(O)=O)C(=O)c1cnccc1C(F)(F)F

BDBM50446451

Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C

BDBM50174737

Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C

BDBM50180840

CCOC1(SC=C(C)n2c1noc2=O)c1ccccc1 |t:5|

BDBM50180841

CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1|

BDBM50180842

CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5|

BDBM50180843

CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1

BDBM50180844

CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(OC)cc1

BDBM50180845

COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O

BDBM50180846

CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5|

BDBM50180847

CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1|

BDBM50180848

CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1

BDBM50180849

FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1

BDBM50182250

CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O

BDBM50182251

CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O

BDBM50182252

CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O

BDBM50182253

CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|

BDBM50184412

CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1

BDBM50184413

CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1

BDBM50184414

CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1

BDBM50184415

CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1

BDBM50184416

C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184417

C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184418

Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1

BDBM50184444

C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50185305

COc1cccc(c1)-c1nc(SC)c2ccccc2n1

BDBM50185306

COc1cccc(c1)-c1nc2ccccc2c(=S)[nH]1

BDBM50185307

COc1cccc(c1)-c1nc(OC)c2ccccc2n1

BDBM28802

COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F

BDBM50192025

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CCC(=O)N=C1 |r,c:36,t:31|

BDBM50192245

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C |r|

BDBM50192238

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3F)C2)n1C |r|

BDBM50192034

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C |r|

BDBM50192026

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(=O)n(C)c1 |r|

BDBM50192246

Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|

BDBM50192317

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O |r|

BDBM50192240

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r|

BDBM50192329

Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|

BDBM50192313

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1C(F)(F)F |r|

BDBM50192023

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O |r|

BDBM50192244

Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(O)=O |r|

BDBM50192027

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccn(C)c(=O)c1 |r|

BDBM50192332

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCOCC1 |r|

BDBM50192021

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCN(CC1)C(N)=O |r|

BDBM50192100

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|

BDBM50192098

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|

BDBM50192235

Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|

BDBM50192339

CC(=O)NC1CCC(CC1)c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r,wU:21.36,23.25,(23.01,-43.94,;22.38,-42.53,;23.29,-41.28,;20.85,-42.37,;20.22,-40.96,;18.69,-40.8,;18.07,-39.41,;18.97,-38.16,;20.5,-38.31,;21.12,-39.72,;18.34,-36.76,;19.11,-35.42,;18.07,-34.28,;16.66,-34.91,;15.33,-34.15,;14,-34.92,;12.66,-34.15,;11.33,-34.92,;9.99,-34.16,;9.83,-32.63,;8.32,-32.31,;7.55,-33.64,;6.11,-33.09,;6.35,-34.62,;5.81,-36.05,;4.28,-36.29,;3.73,-37.73,;4.71,-38.93,;6.23,-38.68,;6.78,-37.24,;4.16,-40.37,;2.64,-40.61,;5.13,-41.56,;3.75,-41.85,;8.59,-34.79,;16.83,-36.44,;15.69,-37.48,)|

BDBM50192315

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(CC(N)=O)cc1 |r|

BDBM50192024

Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(N)=O |r|

BDBM50192444

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCNC(=O)C1 |r|

BDBM50192030

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O |r|

BDBM50192321

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1cccnc1 |r|

BDBM50192880

C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N

BDBM50193810

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|

BDBM50193814

[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|

BDBM50193808

[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|

BDBM50389154

COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|

BDBM50193811

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|

BDBM254166

C[C@H]1N(CCc2c1ncn2-c1ccc(F)cc1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM254160

C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM254164

C[C@H]1N(CCc2c1ncn2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|

BDBM50194617

Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1

BDBM50194720

[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|

BDBM50196412

CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1

BDBM50199463

[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|

BDBM50438936

c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F

BDBM50011266

FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1

BDBM50435366

O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2

BDBM50202656

CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r|

BDBM50435350

Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|

BDBM50206860

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1

BDBM50206863

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1

BDBM50206857

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1

BDBM50206861

CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1

BDBM50343939

C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|

BDBM50206859

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1

BDBM50206865

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1

BDBM50206819

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1

BDBM50206864

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1

BDBM50206858

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1

BDBM50206862

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3C)n2)n[nH]1

BDBM50207517

Cc1c(nnc2c1c(c(s2)C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)N)C

BDBM50207516

Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C

BDBM50207463

Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C

BDBM50207550

CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1F |r|

BDBM50207552

CC(C)COC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(cc1)-c1ccccc1F |r|

BDBM50208165

C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1 |r|

BDBM50210933

CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O

BDBM50206243

C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|

BDBM50229025

CCC(C)(C)C(=O)N(O)Cc1ccccc1

BDBM50230577

COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9|

BDBM50230575

Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4|

BDBM50230576

Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3|

BDBM50232898

COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1

BDBM50233520

Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O

BDBM50234038

CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O

BDBM50234039

COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1

BDBM50234040

COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1

BDBM50234041

COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1

BDBM37953

OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|

BDBM50234734

CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1

BDBM50235297

CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O

BDBM50235306

C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|

BDBM50235385

OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)|

BDBM50235370

OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|

BDBM50235922

Cc1[nH]c(C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1

BDBM50139455

Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N

BDBM50236754

COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br

BDBM50236944

O=C(\C=C\c1ccccc1)c1cccnc1

BDBM50236948

O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1

BDBM50237135

O=C(\C=C\c1cccnc1)c1ccc(cc1)-c1ccccc1