SMILES for Histone-lysine N-methyltransferase NSD2

N[C@@]1(CCCN(C1)c1ccc(nc1)-c1ccc(F)c(F)c1)C1CCC(CC1)OC(F)F |r,wU:1.0,(2.16,6.35,;.83,5.58,;-.51,6.35,;-1.84,5.58,;-1.84,4.04,;-.5,3.27,;.83,4.04,;-.5,1.73,;-1.83,.96,;-1.83,-.58,;-.49,-1.35,;.84,-.57,;.84,.97,;-.49,-2.89,;-1.82,-3.66,;-1.82,-5.2,;-.48,-5.97,;-.48,-7.51,;.85,-5.19,;2.19,-5.96,;.85,-3.65,;1.92,4.49,;1.52,3.01,;2.61,1.92,;4.1,2.32,;4.49,3.8,;3.4,4.89,;5.18,1.23,;6.67,1.63,;7.76,.54,;7.07,3.11,)|

BDBM568008

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)-c3ccc4nccn4c3)cnc12

BDBM568009

COc1ccc(cc1)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568010

C[C@@H](F)c1cccc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)cc1 |r|

BDBM568011

COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568012

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3ccc(O)c(F)n3)-c3ccc(F)c(F)c3)cnc12

BDBM568013

CC(O)c1ccc(nc1F)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568014

COc1ccc(cc1)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1ccc(F)c(Cl)n1 |r|

BDBM568015

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(O)n3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568016

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccc(F)c(n3)C(F)F)-c3ccc(F)cc3)cnc12 |r|

BDBM568017

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cc(O)cc(Cl)n3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568018

Cn1cnc2ccc(cc12)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCCC(N)(C1)c1cccc(Cl)n1

BDBM568019

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccc(F)c(Cl)n3)-c3ccc(F)cc3)cnc12 |r|

BDBM568020

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)-c3ccc4ccnn4c3)cnc12

BDBM568021

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)-c3ccc(C#N)c(F)c3)cnc12

BDBM568022

COc1ccc(nc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568023

Cn1ncc2cc(ccc12)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCCC(N)(C1)c1cccc(Cl)n1

BDBM568024

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(CF)n3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568025

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(n3)C(F)F)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568026

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)-c3ccc(OC(F)F)c(F)c3)cnc12

BDBM568027

Cc1ccc(cn1)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCCC(N)(C1)c1cccc(Cl)n1

BDBM568028

COc1ccc(Cl)nc1[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568029

COc1ncc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568030

Cc1cccc([n+]1[O-])[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568031

COc1c(F)cc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568032

CC(O)c1ccc(nc1Cl)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568033

COc1cc(F)nc(c1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568034

COc1cc(F)c(c(F)c1)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568035

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(Cl)n3)-c3cc(F)c(F)cc3F)cnc12 |r|

BDBM568036

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(Cl)n3)-c3ccc(F)cc3F)cnc12 |r|

BDBM568037

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3nc(F)ccc3O)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568038

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)-c3cnc(F)c(F)c3)cnc12

BDBM568039

COc1ccc(cc1)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1ccc(F)c(C)n1 |r|

BDBM568040

COc1ccc(c(F)c1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568041

COc1cnc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)c1cccc(Cl)n1 |r|

BDBM568042

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)-c3cnc(O)c(F)c3)cnc12

BDBM568043

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccncc3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568044

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccnc(Cl)c3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568045

Cc1cc(ccn1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568046

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccncc3F)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568047

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3ccc(Cl)nn3)-c3ccc(F)c(F)c3)cnc12

BDBM568048

CCc1cncc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)cc1 |r|

BDBM568049

CCc1nccc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568050

CCc1cccc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)C1CC1 |r|

BDBM568051

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccnn3)-c3ccc(F)c(F)c3)cnc12

BDBM568052

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cncc(Cl)n3)-c3ccc(F)c(F)c3)cnc12

BDBM568053

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3ccncn3)-c3ccc(F)c(F)c3)cnc12

BDBM568054

CCc1cncc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)cccc12)-c1ccc(F)cc1 |r|

BDBM568056

Cc1cncc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568057

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cnccn3)-c3ccc(F)c(F)c3)cnc12

BDBM568058

Nc1nccc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(n3)C(F)F)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568059

Cc1cccc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)nccc12)-c1ccc(F)cc1 |r|

BDBM568060

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(F)n3)-c3ccc(F)c(F)c3)cnc12

BDBM568061

Cc1cccc(n1)C1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)nccc12)C1CC1

BDBM568062

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3cccc(n3)C(F)F)C3CC3)cnc12 |r|

BDBM568063

Nc1nccc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)N3CCC3)cnc12

BDBM568064

Nc1nccc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3ccccn3)-c3ccc(F)cc3)cnc12

BDBM568065

Nc1nccc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccc(Cl)n3)C3CCC3)cnc12

BDBM568067

Cn1cc(cn1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(N)c(F)c1 |r|

BDBM568068

Cn1cc(cn1)C1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)nccc12)-c1ccc(F)c(F)c1

BDBM568069

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3cccnc3)-c3ccc(F)c(F)c3)cnc12

BDBM568070

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccc[nH]c3=O)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568071

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)c3ccn(n3)C(F)F)-c3ccc(F)cc3)cnc12 |r|

BDBM568072

CC(C)n1ccc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)cc1 |r|

BDBM568073

CN1NC(C=C1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r,c:4|

BDBM568074

CCn1ccc(n1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)nccc12)C1CC1 |r|

BDBM568075

CCn1ccc(n1)C1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)nccc12)-c1ccc(F)cc1

BDBM568076

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3ccn(n3)C3CC3)-c3ccc(F)c(F)c3)cnc12

BDBM568077

Nc1nccc2n(Cc3cc(ncc3N3CCC[C@@H](C3)c3ccn(n3)C(F)F)-c3ccc(F)cc3)cnc12 |r|

BDBM568078

Nc1nccc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3ccn(n3)C3CC3)-c3ccc(F)cc3)cnc12

BDBM568079

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)c3csc(Cl)n3)-c3ccc(F)cc3)cnc12

BDBM568080

Cn1cc(nn1)C1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1

BDBM568081

Cn1ncc(n1)[C@H]1CCCN(C1)c1cnc(cc1Cn1cnc2c(N)nccc12)-c1ccc(F)c(F)c1 |r|

BDBM568082

Cc1cc(no1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568083

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)[C@@H](F)CO)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568084

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)[C@@H](F)CO)-c3cc(F)c(F)cc3F)cnc12 |r|

BDBM568085

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)C(F)CF)-c3ccc(F)c(F)c3)cnc12

BDBM568086

C[C@H]1COC[C@H](O1)[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568088

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)[C@@H]3COCCO3)-c3cc(F)c(F)cc3F)cnc12 |r|

BDBM568089

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)[C@@H]3COCCO3)-c3cc(F)c(F)cc3C(F)F)cnc12 |r|

BDBM568090

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@]4(COC(=O)N4)C3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568091

[#6]\[#6](=[#6](/F)F)[C@@]1([#7])[#6]-[#6]-[#6]-[#7](-[#6]1)-c1cnc(cc1-[#6]-n1cnc2c(-[#7])ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568092

[#7]-c1ncnc2n(-[#6]-c3cc(ncc3-[#7]-3-[#6]-[#6]-[#6]C([#7])([#6]-3)\[#6]=[#6](\F)F)-c3ccc(F)c(F)c3)cnc12

BDBM568093

COc1ccc(cc1F)C1NC=C(N2CCCC(N)(C2)C(C)F)C(Cn2cnc3c(N)ncnc23)=C1 |c:38,t:12|

BDBM568094

N[C@@H]1CCCN([C@H]1Cn1cccn1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568095

CSCC1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1

BDBM568096

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)[C@H](O)C(F)(F)F)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568098

Nc1ncnc2n(Cc3cc(ncc3N3CCCC(N)(C3)C(F)C(F)(F)F)-c3ccc(F)c(F)c3)cnc12

BDBM568099

Nc1ncnc2n(Cc3cc(ncc3N3CCC(O)C(N)(CC(F)F)C3)-c3ccc(F)c(F)c3)cnc12

BDBM568100

Nc1ncnc2n(Cc3cc(ncc3N3CC[C@@H](O)[C@@](N)(C3)c3cccc(Cl)n3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568101

COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@](N)(CC(F)(F)F)C1 |r|

BDBM568102

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)C#C)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM568103

COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)C(F)F |r|

BDBM568104

COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1C[C@H](N)C[C@@H](CF)C1 |r|

BDBM568105

C[C@@H]1CN(C[C@@](N)(CC(F)F)C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)cc1 |r|

BDBM568106

COCC1CC(N)CN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1

BDBM568107

N[C@@H]1C[C@H](F)CN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568108

C[C@H]1CC[C@@H](N)CN1c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568109

N[C@@H]1CCCN([C@@H]1COC(F)F)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568110

N[C@@H]1CCCN([C@@H]1CO)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568111

N[C@@H]1CCCN([C@@H]1COCC(F)F)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568112

N[C@@H]1CCCN([C@@H]1CCO)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568113

CNC(=O)[C@@H]1[C@H](N)CCCN1c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568114

N[C@@H]1CCCN([C@@H]1C(O)C(F)(F)F)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568115

CN(C)C(=O)[C@@H]1[C@H](N)CCCN1c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568116

N[C@@H]1CCCN([C@@H]1C(N)=O)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568117

N[C@@H]1CCCN([C@@H]1C(O)=O)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568118

N[C@@H]1CCCN([C@@H]1CC(N)=O)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568119

Nc1ncnc2n(Cc3cc(ncc3N3CCCC4(COCCN4)C3)-c3ccc(F)c(F)c3)cnc12

BDBM568120

CN(C)C(=O)CC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568121

N[C@@H]1CCCN([C@@H]1c1ccccc1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM568122

NC1CCCN(C1=O)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1

BDBM568123

N[C@@H]1CCC(=O)N(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM712321

Nc1ncnc2c1ncn2CC1=CC(c2cc(F)c(O)cc2F)=NCC1N1CCC[C@](N)([C@H](O)C(F)F)C1

BDBM712326

COC(=O)COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743399

COc1cc(F)c(-c2cc(Cc3cnc4c(N)nccn34)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743400

COc1cc(F)c(-c2cc(Cn3cnc4cncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743401

COc1cc(F)c(-c2cc(Cn3cnc4ncncc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743402

COc1cc(F)c(-c2cc(CN3CCc4cncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743403

COc1cc(F)c(-c2cc(Cn3ccc4cncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743404

COc1cc(F)c(-c2cc(Cn3ccc4ncncc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743405

COc1cc(F)c(-c2cc(Cn3cnc4ccccc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743406

COc1cc(F)c(-c2cc(Cn3cnc4nccnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743407

COc1cc(F)c(-c2cc(Cn3cnc4cnncc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743408

COc1cc(F)c(-c2cc(Cn3ncc4ncncc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743409

COc1cc(F)c(-c2cc(Cn3ncc4cncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743410

COc1cc(F)c(-c2cc(CN3Cc4nccnc4C3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743411

COc1cc(F)c(-c2cc(Cn3ncc4nccnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743412

COc1cc(F)c(-c2cc(Cn3ccc4nccnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743413

COc1cc(F)c(-c2cc(Cn3ccc4ncccc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743414

COc1cc(F)c(-c2cc(Cn3ncc4cnccc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743415

COc1cc(F)c(-c2cc(CN3CCC[C@H]3CO)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743416

COc1cc(F)c(-c2cc(Cn3cnc4c(O)nc(N)nc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743417

COc1cc(F)c(-c2cc(Cn3ccc(N)nc3=O)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743418

COc1cc(F)c(-c2cc(CN3CCC(=O)NC3=O)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743419

COc1cc(F)c(-c2cc(Cn3ccnc3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743420

COc1cc(F)c(-c2cc(Cn3ccnc3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743421

COc1cc(F)c(-c2cc(CN3CCNC3=O)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743422

COc1cc(F)c(-c2cc(Cn3ccc4cnccc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743423

COc1cc(F)c(-c2cc(CN3NCc4cnc(N)nc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743424

COc1cc(F)c(-c2cc(Cn3cnc(N)c4ncnc3-4)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743425

COc1cc(F)c(-c2cc(CNc3cc4[nH]ccc4cn3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743426

COc1cc(F)c(-c2cc(Cn3cnnn3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM743427

COc1cc(F)c(-c2cc(Cn3cnnc3)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F

BDBM753595

COc1cc(F)c(-c2ncc(N3CCC[C@](N)([C@H](O)C(F)F)C3)c(Cn3cnc4c(N)ncnc43)n2)cc1F

BDBM753597

COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)nn2)cc1F

BDBM753608

COc1cc(F)c(-c2nc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@@](N)([C@H](O)C(F)F)C3)s2)cc1F

BDBM50467088

Nc1[nH]c2ccc(OCc3ccccc3)cc2c1C#N

BDBM50467089

NCC(=O)Nc1ccc(Oc2ccc3n(CC4CC4)c(N)c(C#N)c3c2)cc1

BDBM50082128

c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N

BDBM50467094

Cn1c(N)c(C#N)c2cc(OCc3cccc(N)c3)ccc12

BDBM50082132

Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12

BDBM50082129

N[C@H](CO)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1 |r|

BDBM50467092

Cn1c(N)c(C#N)c2cc(OCc3ccccc3)ccc12

BDBM50082133

CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12

BDBM23411

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1

BDBM50562958

Clc1ccc(cc1)C1CCCN1C(=O)c1ccc(cc1)C#N

BDBM50562959

O=C(N1CCCC1c1ccccc1)c1ccc(cc1)C#N

BDBM50562960

COc1ccc(cc1)C1CCCN1C(=O)c1ccc(cc1)C#N

BDBM50562961

O=C(N1CCCC1c1ccncc1)c1ccc(cc1)C#N

BDBM50562962

O=C(N1CCCC1c1ccc2OCCOc2c1)c1ccc(cc1)C#N

BDBM50562963

O=C(N1CCCC1c1ccsc1)c1ccc(cc1)C#N

BDBM50562964

COC(=O)c1ccc(cc1)C(=O)N1CCCC1c1ccc(F)cc1

BDBM50562965

Fc1ccc(cc1)C1CCCN1C(=O)c1ccc(cc1)N1CNC=N1 |c:26|

BDBM50562966

Fc1ccc(CN(C2CC2)C(=O)c2ccc(cc2)C#N)cc1

BDBM50562967

CN(Cc1ccc(F)cc1)C(=O)c1ccc(cc1)C#N

BDBM50562968

Fc1ccc(CN(C2CCC2)C(=O)c2ccc(cc2)C#N)cc1

BDBM50562969

c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N

BDBM50562970

O=C(N(CC1CCOC1)C1CC1)c1ccc(cc1)C#N

BDBM50562971

NC(=O)C(N1CCC1c1ccc(Cl)cc1)c1ccc(cc1)C#N

BDBM50572746

Nc1cccc2c(cccc12)C(=O)NCc1ccccc1

BDBM50572747

O=C(NCc1ccccc1)c1cccc2[nH]ccc12

BDBM50572748

O=C(NCc1ccccc1)c1cccc2ncccc12

BDBM50572749

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572750

Nc1ccc2c(cccc2c1)S(=O)(=O)NCc1ccccc1

BDBM50572751

Nc1cccc2cc(ccc12)S(=O)(=O)NCc1ccccc1

BDBM50572752

Nc1ccc2cc(ccc2c1)S(=O)(=O)NCc1ccccc1

BDBM50572753

Nc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccc1

BDBM50572754

Nc1cccc2c(cccc12)S(=O)(=O)Nc1ccccc1

BDBM50572755

Nc1cccc2c(cccc12)S(=O)(=O)NCCc1ccccc1

BDBM50572756

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccc(F)cc1

BDBM50572757

COc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1

BDBM50572758

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccc(cc1)C(F)(F)F

BDBM50572759

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccc(cc1)C#N

BDBM50572760

Nc1cccc2c(cccc12)S(=O)(=O)NCc1cccc(c1)C#N

BDBM50572761

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccc(cc1)C(O)=O

BDBM50572762

Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccncc1

BDBM50572763

Nc1cccc2c(cccc12)S(=O)(=O)NCc1cccs1

BDBM50572764

Nc1cccc2c(cccc12)S(=O)(=O)NCC1CCCCC1

BDBM50572765

Nc1cccc2c(cccc12)S(=O)(=O)NCC1CCCNC1

BDBM50572766

CN1CCC(CNS(=O)(=O)c2cccc3c(N)cccc23)CC1

BDBM50572767

Nc1cccc2c(cccc12)S(=O)(=O)NC1CC1c1ccccc1

BDBM50572768

CC(C)(C)NS(=O)(=O)c1cccc2c(N)cccc12

BDBM50572769

CN(Cc1ccccc1)S(=O)(=O)c1cccc2c(N)cccc12

BDBM50572770

Nc1cccc2c(cccc12)S(=O)(=O)N1CCC(Cc2ccccc2)CC1

BDBM50572771

O=S(=O)(NCc1ccccc1)c1cccc2ccccc12

BDBM50572772

CN(C)c1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572773

CC(=O)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572774

O=S(=O)(NCc1ccccc1)c1cccc2c(NCC3CC3)cccc12

BDBM50572775

O=S(=O)(NCc1ccccc1)c1cccc2c(NC3CCCCC3)cccc12

BDBM50572776

O=S(=O)(NCc1ccccc1)c1cccc2c(NC3CCNCC3)cccc12

BDBM50572777

CN1CCC(CC1)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572778

CCN1CCC(CC1)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572779

CC(=O)N1CCC(CC1)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572780

O=C(N1CCC(CC1)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1)c1ccccc1

BDBM50572781

O=C(OCc1ccccc1)N1CCC(CC1)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50572782

CS(=O)(=O)N1CCC(CC1)Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM50572783

CCC(C)NC(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50572784

NC(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50572785

NNc1nc2ccccc2nc1S

BDBM50572786

[H][C@]12CN(C[C@]([H])(C1)c1ccc(-c3ccccc3CN3CCOCC3)c(=O)n1C2)C1CCN(CC1)C(C)=O |r,TLB:25:27:2.3.4:7,29:3:8.27.28:7,THB:9:8:2.3.4:7|

BDBM50572787

O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCN(Cc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1 |r|

BDBM50498655

COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1

BDBM50594275

COc1cc(CN)cc(OC)c1-c1ncn(C)c1-c1ccc(cc1)C#N |(-1.23,2.03,;-.87,.83,;.66,.5,;1.69,1.61,;3.22,1.27,;4.25,2.38,;5.47,2.12,;3.66,-.19,;2.57,-1.32,;3.03,-2.83,;4.25,-3.09,;1.1,-.97,;.02,-2.09,;.3,-3.6,;-1.01,-4.34,;-2.17,-3.33,;-3.37,-3.52,;-1.51,-1.93,;-2.22,-.55,;-1.56,.85,;-2.4,2.13,;-3.91,2.02,;-4.64,.66,;-3.79,-.55,;-4.77,3.36,;-5.42,4.37,)|

BDBM50594276

COc1cc(CN)ccc1-c1ncn(C)c1-c1ccc(cc1)C#N

BDBM50594277

Cn1cnc(c1-c1ccc(cc1)C#N)-c1ccc(CN)cc1

BDBM50594278

Cn1cnc(c1-c1ccc(cc1)C#N)-c1ccc(CN)cc1Cl

BDBM50594279

Cn1cnc(c1-c1ccc(cc1)C#N)-c1ccc(CN)cc1F

BDBM50594280

Cn1cnc(c1-c1ccc(cc1)C#N)-c1ccc(CN)cc1C(F)(F)F

BDBM50594281

Cc1cc(CN)ccc1-c1ncn(C)c1-c1ccc(cc1)C#N

BDBM50594282

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(cc1)C#N |(3.03,-2.83,;2.57,-1.31,;3.65,-.19,;3.21,1.27,;4.24,2.38,;5.45,2.12,;1.69,1.6,;.66,.49,;-.87,.83,;1.1,-.96,;.02,-2.09,;.3,-3.59,;-1.01,-4.33,;-2.17,-3.32,;-3.36,-3.51,;-1.51,-1.92,;-2.21,-.54,;-1.56,.85,;-2.4,2.13,;-3.9,2.02,;-4.63,.66,;-3.78,-.54,;-4.76,3.35,;-5.41,4.36,)|

BDBM50594283

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(3.74,-2.84,;3.28,-1.32,;4.36,-.19,;3.92,1.27,;4.96,2.39,;6.18,2.13,;2.39,1.61,;1.36,.5,;-.13,.9,;1.8,-.97,;.71,-2.1,;1,-3.61,;-.32,-4.35,;-1.48,-3.33,;-2.68,-3.53,;-.82,-1.93,;-1.53,-.62,;-.87,.85,;-1.71,2.14,;-3.22,2.03,;-4.08,3.36,;-4.74,4.38,;-3.95,.66,;-5.49,.57,;-6.18,-.81,;-5.33,-2.09,;-3.79,-2,;-3.1,-.62,)|

BDBM50594284

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ncccc12 |(3.74,-2.84,;3.28,-1.32,;4.36,-.19,;3.92,1.27,;4.95,2.39,;6.18,2.13,;2.39,1.61,;1.36,.5,;-.17,.83,;1.8,-.97,;.71,-2.1,;1,-3.61,;-.32,-4.35,;-1.48,-3.33,;-2.68,-3.53,;-.82,-1.93,;-1.53,-.62,;-.87,.85,;-1.71,2.14,;-3.22,2.03,;-4.08,3.36,;-4.74,4.38,;-3.95,.66,;-5.49,.57,;-6.18,-.81,;-5.33,-2.09,;-3.79,-2,;-3.1,-.62,)|

BDBM50594285

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(N)c1 |(3.39,-2.83,;2.94,-1.31,;4.02,-.19,;3.58,1.27,;4.61,2.38,;5.82,2.12,;2.05,1.6,;1.02,.5,;-.5,.83,;1.46,-.96,;.38,-2.09,;.67,-3.59,;-.64,-4.33,;-1.8,-3.32,;-3,-3.51,;-1.15,-1.93,;-1.85,-.54,;-1.19,.85,;-2.03,2.13,;-3.53,2.02,;-4.39,3.35,;-5.05,4.36,;-4.26,.66,;-5.82,.66,;-3.42,-.54,)|

BDBM50594286

CNc1cc(ccc1C#N)-c1c(ncn1C)-c1c(C)cc(CN)cc1C |(-6.21,-.69,;-5.43,.66,;-3.87,.66,;-3.03,-.54,;-1.46,-.54,;-.8,.85,;-1.64,2.13,;-3.14,2.02,;-4,3.35,;-4.66,4.36,;-.76,-1.93,;.77,-2.09,;1.06,-3.59,;-.25,-4.33,;-1.41,-3.32,;-2.61,-3.51,;1.85,-.96,;3.33,-1.31,;3.78,-2.83,;4.41,-.19,;3.97,1.27,;5,2.38,;6.21,2.12,;2.44,1.6,;1.41,.49,;-.11,.83,)|

BDBM50594287

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(F)c1 |(3.39,-2.83,;2.94,-1.31,;4.02,-.19,;3.58,1.27,;4.6,2.38,;5.82,2.12,;2.05,1.6,;1.02,.49,;-.5,.83,;1.46,-.96,;.38,-2.09,;.67,-3.59,;-.64,-4.33,;-1.8,-3.32,;-3,-3.51,;-1.15,-1.92,;-1.85,-.54,;-1.19,.85,;-2.03,2.13,;-3.53,2.02,;-4.39,3.35,;-5.05,4.36,;-4.26,.66,;-5.82,.66,;-3.42,-.54,)|

BDBM50594288

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(Cl)c1 |(3.39,-2.83,;2.94,-1.31,;4.02,-.19,;3.58,1.27,;4.61,2.38,;5.82,2.12,;2.05,1.6,;1.02,.49,;-.5,.83,;1.46,-.96,;.38,-2.09,;.67,-3.59,;-.64,-4.33,;-1.8,-3.32,;-3,-3.51,;-1.15,-1.93,;-1.85,-.54,;-1.19,.85,;-2.03,2.13,;-3.53,2.02,;-4.39,3.35,;-5.05,4.36,;-4.26,.66,;-5.82,.66,;-3.42,-.54,)|

BDBM50594289

COc1cc(ccc1C#N)-c1c(ncn1C)-c1c(C)cc(CN)cc1C |(-6.21,-.69,;-5.43,.66,;-3.87,.66,;-3.03,-.54,;-1.46,-.54,;-.8,.85,;-1.64,2.13,;-3.14,2.02,;-4,3.35,;-4.66,4.36,;-.76,-1.93,;.77,-2.09,;1.06,-3.59,;-.25,-4.33,;-1.41,-3.32,;-2.61,-3.51,;1.85,-.96,;3.33,-1.31,;3.78,-2.83,;4.41,-.19,;3.97,1.27,;5,2.38,;6.21,2.12,;2.44,1.6,;1.41,.49,;-.11,.83,)|

BDBM50594290

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c(c1)C(F)(F)F |(4.17,-2.82,;3.71,-1.31,;4.8,-.19,;4.35,1.27,;5.38,2.38,;6.6,2.12,;2.83,1.6,;1.8,.49,;.28,.83,;2.24,-.96,;1.16,-2.09,;1.45,-3.59,;.14,-4.33,;-1.02,-3.32,;-2.22,-3.51,;-.37,-1.92,;-1.07,-.54,;-.41,.85,;-1.25,2.13,;-2.75,2.02,;-3.61,3.35,;-4.26,4.36,;-3.48,.66,;-2.64,-.54,;-5.04,.66,;-5.82,2.01,;-5.82,-.69,;-6.6,.66,)|

BDBM50594291

Cc1cc(cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12)C#N |(3.82,-2.84,;3.36,-1.32,;4.45,-.19,;4.01,1.27,;2.48,1.61,;1.44,.5,;-.09,.83,;1.89,-.97,;.8,-2.1,;1.09,-3.61,;-.23,-4.35,;-1.4,-3.33,;-2.6,-3.53,;-.74,-1.93,;-1.44,-.62,;-.78,.85,;-1.63,2.14,;-3.13,2.03,;-4,3.36,;-4.65,4.38,;-3.86,.66,;-5.41,.57,;-6.09,-.81,;-5.24,-2.09,;-3.71,-2,;-3.02,-.62,;5.04,2.39,;6.09,3.52,)|

BDBM50594292

Cc1cc(C=O)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(3.6,-2.84,;3.14,-1.32,;4.22,-.19,;3.78,1.27,;4.81,2.39,;6.32,2.04,;2.25,1.61,;1.22,.5,;-.31,.83,;1.66,-.97,;.57,-2.1,;.86,-3.61,;-.46,-4.35,;-1.62,-3.33,;-2.82,-3.53,;-.96,-1.93,;-1.67,-.62,;-1.01,.85,;-1.85,2.14,;-3.36,2.03,;-4.22,3.36,;-4.88,4.38,;-4.09,.66,;-5.63,.57,;-6.32,-.81,;-5.47,-2.09,;-3.93,-2,;-3.24,-.62,)|

BDBM50594293

CCC(=O)c1cc(C)c(-c2ncn(C)c2-c2ccc(C#N)c3ccccc23)c(C)c1 |(5.42,4.67,;4.37,3.54,;4.82,2.07,;6.31,1.67,;3.79,.96,;4.23,-.51,;3.14,-1.64,;3.6,-3.16,;1.67,-1.29,;.58,-2.41,;.87,-3.93,;-.45,-4.67,;-1.62,-3.65,;-2.82,-3.84,;-.95,-2.25,;-1.66,-.94,;-1,.54,;-1.85,1.82,;-3.35,1.71,;-4.22,3.05,;-4.87,4.06,;-4.08,.34,;-5.63,.25,;-6.31,-1.13,;-5.46,-2.4,;-3.93,-2.31,;-3.24,-.94,;1.22,.18,;-.31,.52,;2.26,1.29,)|

BDBM50594294

Cc1cc(CO)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(4.35,-2.84,;3.89,-1.32,;4.97,-.19,;4.53,1.27,;5.57,2.39,;5.11,3.86,;3,1.61,;1.97,.5,;.44,.83,;2.41,-.97,;1.32,-2.1,;1.61,-3.61,;.29,-4.35,;-.87,-3.33,;-2.07,-3.53,;-.21,-1.93,;-.92,-.62,;-.26,.85,;-1.1,2.14,;-2.61,2.03,;-3.47,3.36,;-4.13,4.38,;-3.34,.66,;-4.88,.57,;-5.57,-.81,;-4.72,-2.09,;-3.18,-2,;-2.49,-.62,)|

BDBM50594295

CCC(O)c1cc(C)c(-c2ncn(C)c2-c2ccc(C#N)c3ccccc23)c(C)c1 |(6.85,3.08,;5.76,1.99,;4.28,2.39,;3.82,3.86,;3.24,1.27,;3.69,-.19,;2.6,-1.32,;3.06,-2.84,;1.12,-.97,;.04,-2.1,;.32,-3.61,;-1,-4.35,;-2.16,-3.33,;-3.36,-3.53,;-1.5,-1.93,;-2.2,-.62,;-1.54,.85,;-2.39,2.14,;-3.9,2.03,;-4.76,3.36,;-5.42,4.38,;-4.63,.66,;-6.17,.57,;-6.85,-.81,;-6.01,-2.09,;-4.47,-2,;-3.78,-.62,;.68,.5,;-.85,.83,;1.71,1.61,)|

BDBM50594296

Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(4.05,-4.28,;3.59,-2.76,;4.68,-1.63,;4.23,-.17,;5.27,.95,;4.81,2.42,;5.86,3.55,;3.33,2.82,;2.93,4.3,;1.44,4.7,;4.02,5.39,;2.53,5.79,;2.7,.17,;1.67,-.94,;.14,-.61,;2.11,-2.41,;1.03,-3.54,;1.31,-5.05,;-0,-5.79,;-1.17,-4.77,;-2.37,-4.97,;-.51,-3.37,;-1.21,-2.06,;-.55,-.59,;-1.4,.7,;-2.91,.59,;-3.77,1.92,;-4.43,2.94,;-3.64,-.78,;-5.18,-.87,;-5.86,-2.25,;-5.02,-3.53,;-3.48,-3.44,;-2.79,-2.06,)|

BDBM50594297

Cc1cc(N)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(4.35,-2.84,;3.89,-1.32,;4.97,-.19,;4.53,1.27,;5.56,2.39,;3,1.61,;1.97,.5,;.44,.83,;2.41,-.97,;1.32,-2.1,;1.61,-3.61,;.29,-4.35,;-.87,-3.33,;-2.07,-3.52,;-.21,-1.93,;-.92,-.62,;-.26,.85,;-1.1,2.14,;-2.61,2.02,;-3.47,3.36,;-4.13,4.38,;-3.34,.66,;-4.88,.57,;-5.56,-.81,;-4.72,-2.09,;-3.18,-2,;-2.49,-.62,)|

BDBM50594298

Cc1cc(CNC(=O)OC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(1.05,-3.38,;.59,-1.87,;1.67,-.74,;1.23,.73,;2.27,1.84,;3.77,1.5,;4.81,2.63,;4.42,4.11,;6.32,2.28,;7.36,3.41,;8.87,3.07,;6.97,4.9,;8.43,4.52,;-.3,1.06,;-1.33,-.05,;-2.86,.29,;-.89,-1.51,;-1.98,-2.64,;-1.69,-4.16,;-3.01,-4.9,;-4.17,-3.88,;-5.37,-4.07,;-3.51,-2.48,;-4.22,-1.17,;-3.56,.31,;-4.4,1.59,;-5.91,1.48,;-6.77,2.82,;-7.43,3.84,;-6.64,.12,;-8.18,.02,;-8.87,-1.35,;-8.02,-2.63,;-6.48,-2.54,;-5.79,-1.17,)|

BDBM50594299

CCNCc1cc(C)c(-c2ncn(C)c2-c2ccc(C#N)c3ccccc23)c(C)c1 |(7.59,2.83,;6.09,3.17,;5.04,2.04,;3.54,2.39,;2.51,1.27,;2.95,-.19,;1.86,-1.32,;2.32,-2.84,;.39,-.97,;-.7,-2.1,;-.41,-3.61,;-1.73,-4.35,;-2.9,-3.33,;-4.1,-3.53,;-2.24,-1.93,;-2.94,-.62,;-2.28,.85,;-3.13,2.14,;-4.64,2.03,;-5.5,3.36,;-6.15,4.38,;-5.37,.66,;-6.91,.57,;-7.59,-.81,;-6.75,-2.09,;-5.21,-2,;-4.52,-.62,;-.06,.5,;-1.59,.83,;.98,1.61,)|

BDBM50594300

Cc1cc(CNC2CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(2.34,-3,;1.88,-1.48,;2.96,-.35,;2.52,1.11,;3.55,2.23,;5.05,1.88,;6.1,3.01,;7.58,3.47,;6.45,4.51,;.99,1.45,;-.05,.34,;-1.58,.67,;.4,-1.13,;-.69,-2.26,;-.4,-3.77,;-1.72,-4.51,;-2.88,-3.49,;-4.08,-3.69,;-2.22,-2.09,;-2.93,-.78,;-2.27,.69,;-3.11,1.98,;-4.62,1.86,;-5.48,3.2,;-6.14,4.22,;-5.35,.5,;-6.9,.41,;-7.58,-.97,;-6.73,-2.25,;-5.19,-2.16,;-4.5,-.78,)|

BDBM50594301

Cc1cc(CNC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(2.32,-2.99,;1.86,-1.47,;2.95,-.34,;2.51,1.12,;3.54,2.23,;5.04,1.89,;6.09,3.02,;7.59,2.67,;5.69,4.51,;7.16,4.13,;.98,1.46,;-.06,.34,;-1.59,.68,;.39,-1.12,;-.7,-2.25,;-.41,-3.76,;-1.73,-4.51,;-2.9,-3.49,;-4.1,-3.68,;-2.24,-2.09,;-2.94,-.78,;-2.28,.7,;-3.13,1.99,;-4.64,1.87,;-5.5,3.21,;-6.15,4.23,;-5.37,.51,;-6.91,.42,;-7.59,-.96,;-6.75,-2.24,;-5.21,-2.15,;-4.52,-.78,)|

BDBM50594302

Cc1cc(CN2CCCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(2.36,-2.84,;1.9,-1.32,;2.98,-.19,;2.54,1.27,;3.58,2.39,;5.08,2.04,;6.24,3.06,;7.56,2.27,;7.21,.76,;5.68,.63,;1.01,1.61,;-.02,.5,;-1.55,.83,;.42,-.97,;-.67,-2.1,;-.38,-3.61,;-1.7,-4.35,;-2.86,-3.33,;-4.06,-3.53,;-2.2,-1.93,;-2.91,-.62,;-2.25,.85,;-3.09,2.14,;-4.6,2.03,;-5.46,3.36,;-6.12,4.38,;-5.33,.66,;-6.88,.57,;-7.56,-.81,;-6.71,-2.09,;-5.17,-2,;-4.48,-.62,)|

BDBM50594303

Cc1cc(CN2CCCCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(2.1,-2.84,;1.64,-1.32,;2.72,-.19,;2.28,1.27,;3.31,2.39,;4.81,2.04,;5.86,3.17,;7.36,2.83,;7.82,1.36,;6.77,.23,;5.27,.57,;.75,1.61,;-.28,.5,;-1.82,.83,;.16,-.97,;-.93,-2.1,;-.64,-3.61,;-1.96,-4.35,;-3.12,-3.33,;-4.32,-3.53,;-2.46,-1.93,;-3.17,-.62,;-2.51,.85,;-3.35,2.14,;-4.86,2.03,;-5.72,3.36,;-6.38,4.38,;-5.59,.66,;-7.14,.57,;-7.82,-.81,;-6.97,-2.09,;-5.43,-2,;-4.74,-.62,)|

BDBM50594304

Cc1cc(CN2CCOCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(2.1,-2.84,;1.64,-1.32,;2.72,-.19,;2.28,1.27,;3.31,2.39,;4.81,2.04,;5.27,.57,;6.77,.23,;7.82,1.36,;7.36,2.83,;5.86,3.17,;.75,1.61,;-.28,.5,;-1.82,.83,;.16,-.97,;-.93,-2.1,;-.64,-3.61,;-1.96,-4.35,;-3.12,-3.33,;-4.32,-3.53,;-2.46,-1.93,;-3.17,-.62,;-2.51,.85,;-3.35,2.14,;-4.86,2.03,;-5.72,3.36,;-6.38,4.38,;-5.59,.66,;-7.14,.57,;-7.82,-.81,;-6.97,-2.09,;-5.43,-2,;-4.74,-.62,)|

BDBM50594305

Cc1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(-.33,-2.84,;-.79,-1.32,;.29,-.19,;-.15,1.27,;.88,2.39,;2.38,2.04,;2.84,.57,;4.34,.23,;5.39,1.36,;4.93,2.83,;3.43,3.17,;6.87,.96,;7.96,2.05,;7.27,-.53,;8.76,-.93,;9.16,-2.42,;9.85,.16,;10.25,-1.33,;-1.68,1.61,;-2.72,.5,;-4.25,.83,;-2.27,-.97,;-3.36,-2.1,;-3.07,-3.61,;-4.39,-4.35,;-5.56,-3.33,;-6.75,-3.53,;-4.89,-1.93,;-5.6,-.62,;-4.94,.85,;-5.78,2.14,;-7.29,2.03,;-8.16,3.36,;-8.81,4.38,;-8.02,.66,;-9.57,.57,;-10.25,-.81,;-9.4,-2.09,;-7.87,-2,;-7.18,-.62,)|

BDBM50594306

Cc1cc(CN2CCC(CC2)NC(=O)OC(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(-1.22,-2.84,;-1.68,-1.32,;-.6,-.19,;-1.04,1.27,;-.01,2.39,;1.49,2.04,;1.95,.57,;3.45,.23,;4.5,1.36,;4.04,2.83,;2.54,3.17,;5.98,.96,;7.07,2.05,;6.68,3.53,;8.56,1.65,;9.65,2.74,;11.14,2.34,;9.25,4.22,;10.74,3.83,;-2.57,1.61,;-3.61,.5,;-5.14,.83,;-3.16,-.97,;-4.25,-2.1,;-3.96,-3.61,;-5.28,-4.35,;-6.44,-3.33,;-7.64,-3.53,;-5.78,-1.93,;-6.49,-.62,;-5.83,.85,;-6.67,2.14,;-8.18,2.03,;-9.04,3.36,;-9.7,4.38,;-8.91,.66,;-10.46,.57,;-11.14,-.81,;-10.29,-2.09,;-8.75,-2,;-8.07,-.62,)|

BDBM50594307

Cc1cc(CN2CCNCC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(2.1,-2.84,;1.64,-1.32,;2.72,-.19,;2.28,1.27,;3.31,2.39,;4.81,2.04,;5.27,.57,;6.77,.23,;7.82,1.36,;7.36,2.83,;5.86,3.17,;.75,1.61,;-.28,.5,;-1.82,.83,;.16,-.97,;-.93,-2.1,;-.64,-3.61,;-1.96,-4.35,;-3.12,-3.33,;-4.32,-3.53,;-2.46,-1.93,;-3.17,-.62,;-2.51,.85,;-3.35,2.14,;-4.86,2.03,;-5.72,3.36,;-6.38,4.38,;-5.59,.66,;-7.14,.57,;-7.82,-.81,;-6.97,-2.09,;-5.43,-2,;-4.75,-.62,)|

BDBM50594308

Cc1cc(CN2CCC(N)CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(1.35,-2.84,;.89,-1.32,;1.98,-.19,;1.54,1.27,;2.57,2.39,;4.07,2.04,;4.52,.57,;6.03,.23,;7.07,1.36,;8.56,.96,;6.62,2.83,;5.12,3.17,;.01,1.61,;-1.03,.5,;-2.56,.83,;-.58,-.97,;-1.67,-2.1,;-1.38,-3.61,;-2.7,-4.35,;-3.87,-3.33,;-5.07,-3.53,;-3.21,-1.93,;-3.91,-.62,;-3.25,.85,;-4.1,2.14,;-5.61,2.03,;-6.47,3.36,;-7.12,4.38,;-6.34,.66,;-7.88,.57,;-8.56,-.81,;-7.72,-2.09,;-6.18,-2,;-5.49,-.62,)|

BDBM50594309

Cc1cc(CN2CCC(O)C2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(1.91,-2.84,;1.45,-1.32,;2.54,-.19,;2.1,1.27,;3.13,2.39,;4.63,2.04,;5.68,3.17,;7.1,2.49,;6.91,1,;8,-.09,;5.39,.71,;.57,1.61,;-.47,.5,;-2,.83,;-.02,-.97,;-1.11,-2.1,;-.82,-3.61,;-2.14,-4.35,;-3.31,-3.33,;-4.51,-3.53,;-2.65,-1.93,;-3.35,-.62,;-2.69,.85,;-3.54,2.14,;-5.04,2.03,;-5.91,3.36,;-6.56,4.38,;-5.77,.66,;-7.32,.57,;-8,-.81,;-7.15,-2.09,;-5.62,-2,;-4.93,-.62,)|

BDBM50594310

CN(C)C1CCN(Cc2cc(C)c(-c3ncn(C)c3-c3ccc(C#N)c4ccccc34)c(C)c2)C1 |(7.55,4.58,;7.55,3.04,;8.88,2.27,;6.21,2.27,;6.03,.78,;4.51,.49,;3.75,1.82,;2.25,2.16,;1.21,1.05,;1.66,-.42,;.57,-1.55,;1.03,-3.06,;-.91,-1.19,;-1.99,-2.32,;-1.71,-3.83,;-3.02,-4.58,;-4.19,-3.56,;-5.39,-3.75,;-3.53,-2.16,;-4.23,-.85,;-3.57,.63,;-4.42,1.91,;-5.93,1.8,;-6.79,3.14,;-7.44,4.16,;-6.66,.44,;-8.2,.35,;-8.88,-1.03,;-8.04,-2.31,;-6.5,-2.22,;-5.81,-.85,;-1.35,.27,;-2.88,.61,;-.32,1.39,;4.8,2.95,)|

BDBM50594311

Cc1cc(CNCCN)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(1.8,-2.84,;1.34,-1.32,;2.43,-.19,;1.98,1.27,;3.02,2.39,;4.52,2.04,;5.57,3.17,;7.07,2.83,;8.11,3.96,;.45,1.61,;-.58,.5,;-2.11,.83,;-.14,-.97,;-1.23,-2.1,;-.94,-3.61,;-2.26,-4.35,;-3.42,-3.33,;-4.62,-3.53,;-2.76,-1.93,;-3.47,-.62,;-2.8,.85,;-3.65,2.14,;-5.16,2.03,;-6.02,3.36,;-6.68,4.38,;-5.89,.66,;-7.43,.57,;-8.11,-.81,;-7.27,-2.09,;-5.73,-2,;-5.04,-.62,)|

BDBM50598857

O=C(CNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)NCCCOc1ccc(NC(=O)c2ccc(CN(C3CC3)C(=O)c3ccc4NC(=O)COc4c3)cc2)nc1

BDBM50598858

CN1C(=O)CCC(N2C(=O)c3cccc(NCC(=O)NCCCOc4ccc(NC(=O)c5ccc(CN(C6CC6)C(=O)c6ccc7NC(=O)COc7c6)cc5)nc4)c3C2=O)C1=O

BDBM50598859

c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5

BDBM50606100

C[C@H](Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)C1=CCNCC1)c1ccccc1 |r,t:21|

BDBM50106497

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|

BDBM50106494

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12 |w:6.6|

BDBM50106505

ClC1=C(NC2CCc3ccccc23)C(=O)c2ncccc2C1=O |c:1|

BDBM50616723

ClC1=C(NC2CCc3ccccc23)C(=O)c2cccnc2C1=O |c:1|

BDBM50106499

Oc1c(Cl)c(N=CCc2c[nH]c3ccccc23)c(O)c2ncccc12 |w:6.6|

BDBM50616724

ClC1=C(NCCc2c[nH]c3ccccc23)C(=O)c2cccnc2C1=O |c:1|

BDBM50616725

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2cccnc2C1=O |r,c:8|

BDBM50616726

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ncccc2C1=O |r,c:8|

BDBM50616727

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(Cl)nc2C1=O |r,c:8|

BDBM50616728

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(nc2C1=O)N1CCCC1 |r,c:8|

BDBM50616729

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(nc2C1=O)N1CCC(F)(F)C1 |r,c:8|

BDBM50616730

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(nc2C1=O)N1C[C@@H](O)[C@H](O)C1 |r,c:8|

BDBM50616731

CC(C)(O)[C@H](F)CNC1=C(Cl)C(=O)c2ccc(nc2C1=O)N1CC(O)C1 |r,c:8|

BDBM50616732

CC#CC(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2cccnc2C1=O |c:14|

BDBM50616733

CC#CC(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2ncccc2C1=O |c:14|

BDBM50616734

FC1(F)CC1C(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2cccnc2C1=O |c:17|

BDBM50616735

FC1(F)CC1C(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2ncccc2C1=O |c:17|

BDBM50616736

CC(F)(F)C(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2cccnc2C1=O |c:15|

BDBM50616737

CC(F)(F)C(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2ncccc2C1=O |c:15|

BDBM50616738

C[C@@](O)(C(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2cccnc2C1=O)C(F)(F)F |r,c:14|

BDBM50616739

C[C@@](O)(C(=O)NC12CC(C1)(C2)NC1=CC(=O)c2ncccc2C1=O)C(F)(F)F |r,t:14|

BDBM50616740

OC1(CCNC2=C(Cl)C(=O)c3cccnc3C2=O)CCN(CC1)C(=O)C1CC1(F)F |c:5|

BDBM50616741

OC1(CCNC2=C(Cl)C(=O)c3ncccc3C2=O)CCN(CC1)C(=O)C1CC1(F)F |c:5|

BDBM50616742

C[C@@](O)(C(=O)N1CCC(O)(CCNC2=C(Cl)C(=O)c3cccnc3C2=O)CC1)C(F)(F)F |r,c:13|

BDBM50616743

C[C@@](O)(C(=O)N1CCC(O)(CCNC2=C(Cl)C(=O)c3ncccc3C2=O)CC1)C(F)(F)F |r,c:13|

BDBM50616744

CC(F)(F)C(=O)NC1CN(C1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:12|

BDBM50616745

CC(F)(F)C(=O)NC1CN(C1)C1=C(Cl)C(=O)c2ncccc2C1=O |c:12|

BDBM50616746

CC#CC(=O)NC1CN(C1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:11|

BDBM50616747

CC#CC(=O)NC1CN(C1)C1=C(Cl)C(=O)c2ncccc2C1=O |c:11|

BDBM50616748

CC(F)(F)C(=O)N1CCC2(CN(C2)C2=C(Cl)C(=O)c3cccnc3C2=O)CC1 |c:14|

BDBM50616749

CC(F)(F)C(=O)N1CCC2(CN(C2)C2=C(Cl)C(=O)c3ncccc3C2=O)CC1 |c:14|

BDBM50616750

CC#CC(=O)N1CCC2(CN(C2)C2=C(Cl)C(=O)c3cccnc3C2=O)CC1 |c:13|

BDBM50616751

CC#CC(=O)N1CCC2(CN(C2)C2=C(Cl)C(=O)c3ncccc3C2=O)CC1 |c:13|

BDBM50616752

CC(F)(F)C(=O)NCCC1CCN(CC1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:16|

BDBM50616753

CC(F)(F)C(=O)NCCC1CCN(CC1)C1=C(Cl)C(=O)c2ncccc2C1=O |c:16|

BDBM50616754

CC#CC(=O)NCCC1CCN(CC1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:15|

BDBM50616755

CC#CC(=O)NCCC1CCN(CC1)C1=C(Cl)C(=O)c2ncccc2C1=O |c:15|

BDBM50616756

CC(F)(F)C(=O)NCCC1CN(C1)C1=C(Cl)C(=O)c2cccnc2C1=O |c:14|

BDBM50616757

CC(F)(F)C(=O)NCCC1CN(C1)C1=C(Cl)C(=O)c2ncccc2C1=O |c:14|

BDBM50378739

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N

BDBM50075101

CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

BDBM50300028

C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC

BDBM50622285

CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C

BDBM50627875

c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4

BDBM50627876

[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c3ccc(NC(=O)c4ccc(CN(C5CC5)C(=O)c5ccc6NC(=O)COc6c5)cc4)cc3)[C@@]1([H])NC(=O)N2 |r|

BDBM50627877

[H][C@@]12CN(C[C@]([H])(C1)c1ccc(-c3ccccc3CN3CCOCC3)c(=O)n1C2)C1CCN(CC1)C(C)=O |r|

BDBM50627878

CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|

BDBM50627879

Cn1nnc2cc(NC(=O)Nc3cccc(c3)[N+]([O-])=O)ccc12

BDBM50627880

[O-][N+](=O)c1cccc(NC(=O)Nc2ccc3nnsc3c2)c1

BDBM50627881

O=C(Nc1cccc(c1)C#N)Nc1ccc2nnsc2c1

BDBM50627882

COC(=O)c1cc(NC(=O)Nc2ccc3nnsc3c2)cc(c1)C(=O)OC

BDBM50627883

COC(=O)c1cc(NC(=O)Nc2ccc3nnsc3c2)cc(NC(=O)C=C)c1

BDBM50627884

CC(=O)c1ccc(s1)-c1cc(NC(=O)Nc2ccc3nnsc3c2)cc(c1)C(F)(F)F

BDBM50627889

N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C3CC3)C(=O)c3ccc4NC(=O)COc4c3)cc2)cc1 |r|

BDBM50627890

NCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(CN(C3CC3)C(=O)c3ccc4NC(=O)COc4c3)cc2)cc1

BDBM50179360

CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|

BDBM50315537

CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|

BDBM50629733

CCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|

BDBM50324210

OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|

BDBM50388091

COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O

BDBM50162774

CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C

BDBM50629737

O=C(NCCCN(Cc1nc2sc3CCCCc3c2c(=O)[nH]1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1)c1cc2ccccc2c(=O)o1

BDBM50633488

CC(C)CN[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50633489

Cn1nnc2ccc(NC(=O)Nc3cccc(c3)[N+]([O-])=O)cc12

BDBM50633490

CC(C)N(Cc1ccc(cc1)C(=O)Nc1ccncn1)C(=O)c1ccc2NC(=O)COc2c1

BDBM50637596

Nc1ncnc2c1ncn2CCOc1ccc(F)cc1

BDBM50637597

Nc1ncnc2c1ncn2CCOc1ccc(Cl)cc1

BDBM50637598

Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1

BDBM50637599

Nc1ncnc2c1ncn2CCOc1ccc(I)cc1

BDBM50637600

Nc1ncnc2c1ncn2CCOc1ccc(C(F)(F)F)cc1

BDBM50637602

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1

BDBM50637604

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1Cl

BDBM50637605

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1C#N

BDBM50637607

Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1F

BDBM50637608

Nc1ncnc2c1ncn2CCOc1ccc(Br)c(F)c1

BDBM50637609

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1

BDBM50637611

N#Cc1ccc(OCCn2c(O)nc3c(N)ncnc32)cc1

BDBM50643520

Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncnc5c4C(=O)CCN5)[C@H](O)[C@@H]3O)ccc2cc1Br

BDBM50643526

Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)ccc2cc1Br

BDBM50646353

Cc1cccc2cc(C(=O)NC3CCC(N)CC3)[nH]c12

BDBM378212

Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN

BDBM50582886

Cc1cccnc1C(NC(=O)c1cc2cccc(C)c2[nH]1)C1CC1

BDBM50646354

Cc1cccc2cc(C(=O)Nc3ccccc3)[nH]c12

BDBM50582901

Cc1cccnc1C(NC(=O)c1cc2c(F)ccc(C)c2[nH]1)C1CC1

BDBM50582894

Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F

BDBM50582889

CN(C1CCN(C1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=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

BDBM50594406

Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F

BDBM50646355

CCC(C)N[C@@H](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

BDBM50608077

CC1CN1c1cc(O)c2nc(N)sc2c1

BDBM50646696

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646697

COc1cc2c(NC3CCN(C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646698

CCCN1CCC(Nc2nc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1

BDBM50646699

COc1cc2c(NC3CCN(C4CC4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646700

COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646701

COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646702

COc1cc2c(NCC3CCN(C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646703

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCCC1

BDBM50646704

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN(C)C

BDBM50646707

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCOCC1

BDBM50646705

COc1cc2nc(C#N)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50646706

COc1cc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2cc1OC

BDBM50646708

COc1cc2c(NC3CCN(C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646709

CCCN1CCC(Nc2cc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1

BDBM50646710

COc1cc2c(NC3CCN(C(C)C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646711

COc1cc2c(NC3CCN(C4CC4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646712

COc1cc2c(NC3CCN(C4CCCCC4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646713

COc1cc2c(NC3CCN(Cc4ccccc4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646714

COc1cc2c(NCC3CCN(C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646715

COc1cc2c(NC3CCN(C(C)=O)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646716

COc1cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646717

COc1cc2c(NC3CCNCC3)cc(C#N)nc2cc1OCCCN1CCCC1

BDBM50646718

COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)CF)C3)cn2)cc1F

BDBM50648946

c1cc(cc(c1)Br)CNCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O

BDBM50498659

COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCCC1

BDBM50649544

COc1cc2nc(N3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50649545

COc1cc2nc(N(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50649546

CNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1

BDBM50649547

COc1cc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50649548

COc1cc2nc(-c3ccccc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50649549

COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50649550

COc1cc2nc(CN)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

BDBM50649551

COc1cc2nc(C#N)nc(NC3CCN(C)CC3)c2cc1OC

BDBM50649552

COc1cc2nc(C#N)nc(N(C)C3CCN(C)CC3)c2cc1OC

BDBM50649553

COc1cc2nc(C#N)nc(OC3CCN(C)CC3)c2cc1OC

BDBM50649554

COc1cc2nc(C#N)nc(NC3CCCCC3)c2cc1OC

BDBM50649555

COc1cc2nc(C#N)nc(NC3CCCC3)c2cc1OC

BDBM50649556

COc1cc2nc(C#N)nc(NC3CCOCC3)c2cc1OC

BDBM50649557

COc1cc2nc(C#N)nc(N3CCN(C)CC3)c2cc1OC

BDBM50649558

COc1cc2nc(C#N)nc(Nc3ccc(N4CCN(C)CC4)cc3)c2cc1OC

BDBM50649559

COc1cc2nc(C#N)nc(NCC3CCN(C)CC3)c2cc1OC

BDBM50649560

CCN1CCC(Nc2nc(C#N)nc3cc(OC)c(OC)cc23)CC1

BDBM50649561

CCCN1CCC(Nc2nc(C#N)nc3cc(OC)c(OC)cc23)CC1

BDBM50649562

COc1cc2nc(C#N)nc(NC3CCN(C4CC4)CC3)c2cc1OC

BDBM50649563

COc1cc2nc(C#N)nc(NC3CCN(C4CCCCC4)CC3)c2cc1OC

BDBM50649564

COc1cc2nc(C#N)nc(NC3CCN(C(C)=O)CC3)c2cc1OC

BDBM50649565

COc1cc2nc(C#N)nc(NC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC

BDBM50649566

COc1cc2nc(C#N)nc(NC3CCNCC3)c2cc1OC

BDBM50649567

COc1ccc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2c1

BDBM50649568

COc1ccc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2c1

BDBM50649569

CC(C)N1CCC(Nc2nc(C#N)nc3ccccc23)CC1

BDBM50649570

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCc1ccccc1

BDBM50649571

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1O

BDBM50649572

COCCOc1cc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2cc1OC

BDBM50649573

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCN1CCOCC1

BDBM50649574

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCC(F)(F)C1

BDBM50649575

COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCC(F)(F)CC1

BDBM50590375

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|

BDBM588052

CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|

BDBM50652922

N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1

BDBM378654

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1

BDBM378802

c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|