SMILES for Bcl-2-related protein A1

CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12 |(3.81,-6.1,;2.48,-6.86,;1.15,-6.08,;2.46,-8.4,;3.8,-9.19,;5.14,-8.43,;3.78,-10.73,;5.1,-11.52,;2.43,-11.49,;1.11,-10.71,;-.21,-11.46,;-.21,-13,;-1.54,-10.69,;-2.88,-11.46,;-4.22,-10.68,;-4.22,-9.14,;-5.55,-11.46,;-6.89,-10.68,;-8.22,-11.46,;-9.55,-10.69,;-8.22,-13.01,;-9.55,-13.78,;-6.89,-13.78,;-6.89,-15.31,;-8.22,-16.08,;-5.56,-16.08,;-5.55,-13.01,;-4.21,-13.77,;-4.21,-15.31,;-2.87,-13,;-1.54,-13.77,;-1.55,-9.16,;-2.88,-8.39,;-.21,-8.39,;-.2,-6.85,;1.13,-9.16,)|

BDBM33122

CC(C)C(=O)NC(c1ccccc1)c1cc([N+]([O-])=O)c2cccnc2c1O

BDBM50330248

CC(C)C=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC(C)C)c4c(O)c3=C)c(=C)c(O)c12 |w:3.2,24.24,(18.99,-45.93,;18.99,-44.39,;17.66,-43.62,;20.32,-43.62,;20.33,-42.08,;18.99,-41.31,;17.66,-42.08,;18.99,-39.76,;17.66,-39,;20.33,-38.98,;21.67,-39.76,;23,-38.98,;23,-37.44,;24.34,-39.76,;25.68,-38.99,;27.01,-39.77,;27.01,-41.31,;28.33,-39.01,;29.66,-39.79,;31.01,-39.04,;32.33,-39.82,;31.02,-37.49,;32.36,-36.73,;29.69,-36.7,;29.7,-35.16,;31.04,-34.4,;31.05,-32.86,;32.37,-35.18,;28.35,-37.46,;27.01,-36.69,;27.02,-35.15,;25.67,-37.46,;24.34,-36.69,;24.35,-41.31,;25.68,-42.08,;23,-42.08,;23,-43.62,;21.67,-41.31,)|

BDBM78735

CC(C)CC(N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM78966

CC(C)CC(N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM78713

CC(C)CCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)c1ccco1

BDBM33153

CC(C)CN1C(=S)N\C(=C/c2ccco2)C1=O

BDBM78702

CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

BDBM142750

CC(C)Cc1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(CC(C)C)c(O)c(O)cc3c1=O)c2=O |(-7.31,-6.3,;-7.31,-4.76,;-8.65,-3.99,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|

BDBM30715

CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccc(C)cc1 |c:6|

BDBM44064

CC(C)NC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:8,15|

BDBM79362

CC(C)[C@H](N)c1cn(nn1)[C@@H](CO)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)O)n1cc(nn1)[C@@H](N)CCCCN

BDBM31802

CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|

BDBM142745

CC(C)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(C)C)c(O)c(O)cc3c1=O)c2=O |(-4.65,-4.76,;-5.98,-3.99,;-7.31,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,)|

BDBM50397583

CC(C)c1cc(cc2nc(ccc12)N1CCCC1)-c1cc2ccccc2nc1N1CCCC1

BDBM78830

CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1

BDBM79116

CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1

BDBM66855

CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1

BDBM50330258

CC(CNC(=O)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)NCC(C)c2ccccc2)C1=O)c1ccccc1 |c:23,t:15|

BDBM31810

CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|

BDBM142746

CC(CNC(=O)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(=O)NCC(C)c4ccccc4)c(O)c(O)cc3c1=O)c2=O)c1ccccc1 |(7.36,6.79,;6.02,7.56,;4.69,6.79,;4.69,5.25,;3.36,4.48,;2.02,5.25,;3.36,2.94,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;2.02,2.17,;.69,2.94,;.69,4.48,;-.65,2.17,;-1.98,2.94,;-.65,.63,;-1.98,-.14,;-1.98,-1.68,;-.65,-2.45,;-3.31,-2.45,;-3.31,-3.99,;-4.65,-1.68,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-8.65,-8.61,;-9.98,-9.38,;-9.98,-10.92,;-8.65,-11.69,;-7.31,-10.92,;-7.31,-9.38,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-3.31,.68,;-3.31,2.22,;.69,-.2,;.69,-1.74,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;7.36,11.41,;7.36,9.87,)|

BDBM31809

CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|

BDBM79160

CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)-n1ccnc1

BDBM34337

CC(Nc1ccccc1N1CCOCC1)c1nc2sc(C)c(C)c2c(=O)[nH]1

BDBM79135

CC1(C)Cc2c(C(N)=O)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C(C)(C)N1

BDBM79117

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCC1)c2C(N)=O

BDBM79120

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCC1CCCO1)c2C(N)=O

BDBM79118

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCCCN1CCOCC1)c2C(N)=O

BDBM50330257

CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O |c:27,t:1|

BDBM33201

CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1|

BDBM78661

CC1=CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23 |t:1|

BDBM56757

CC1CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23

BDBM33161

CC1CC2C(NC(=S)N=C2C(C1)=Cc1cccc(F)c1)c1cccc(F)c1 |w:12.14,c:8|

BDBM34189

CC1CCN(Cc2ccc(NC(=O)C3CCN(CC3)c3nnc(s3)-n3cccc3)cc2)CC1

BDBM39158

CC1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|

BDBM39163

CC1CN(CCN1c1ccccc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|

BDBM33072

CC1N(C)c2cccc3cccc(N1C)c23

BDBM39164

CC1N(CCNC1=O)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|

BDBM39166

CC1NC(C)C(C)N(C1C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|

BDBM50604896

CCC(=O)N1CCN(CC1)c1n(Cc2ccccc2)nc2cc(ccc12)-c1cccc(F)c1

BDBM78760

CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1

BDBM78707

CCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1

BDBM33121

CCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O

BDBM33080

CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

BDBM33119

CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O

BDBM41654

CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O

BDBM65397

CCC(C)(C)c1ccc(OCCCC[n+]2ccc(C)cc2)c(c1)C(C)(C)CC

BDBM78786

CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(c1)C(C)(C)CC

BDBM79004

CCC(C)NC(C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1

BDBM78914

CCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC1CCCC1

BDBM78666

CCC(OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccccc1

BDBM33120

CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O

BDBM63558

CCCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C

BDBM59086

CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|

BDBM59083

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1

BDBM50244355

CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO |r|

BDBM83205

CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO

BDBM58367

CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12

BDBM67655

CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12

BDBM51903

CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12

BDBM51904

CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12

BDBM51912

CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12

BDBM55861

CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12

BDBM51841

CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|

BDBM79022

CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12 |w:5.4,9.8|

BDBM78887

CCCCN(C(=O)c1ccco1)c1nnc(s1)-c1cc(OC)c(OC)c(OC)c1

BDBM78729

CCCCN(C)CCNC(=O)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1

BDBM78988

CCCCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O

BDBM39160

CCCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|

BDBM78323

CCCCNC(=S)NNC1=c2ccccc2=NC1=O |c:9,16|

BDBM32276

CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12

BDBM78561

CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O

BDBM78536

CCCCn1c2nc(-c3ccc(cc3)C#N)n(C3CCCC3)c2c(=O)[nH]c1=O

BDBM50313354

CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C

BDBM34181

CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(OC)c1OC |c:6|

BDBM79109

CCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12

BDBM60229

CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC

BDBM78543

CCCOc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O

BDBM50397585

CCCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C

BDBM50397584

CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(nc2c1)N1CCOCC1

BDBM79084

CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

BDBM77606

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23|

BDBM67396

CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|

BDBM65890

CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1

BDBM65894

CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1

BDBM50604880

CCCn1nc2cc(ccc2c1N1CCN(CC1)C(=O)C=C)-c1cccc(F)c1

BDBM33102

CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC

BDBM33194

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1

BDBM79127

CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1OC

BDBM33200

CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

BDBM79268

CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1

BDBM79009

CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccc(OC)c2)-c2ccc(F)cc2)cc1

BDBM51856

CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1

BDBM51914

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|

BDBM51882

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|

BDBM51881

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|

BDBM51883

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|

BDBM33145

CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|

BDBM33128

CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC

BDBM33138

CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC

BDBM33107

CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|

BDBM33092

CCN(CC)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1

BDBM33042

CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC

BDBM33044

CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1n[nH]c2CCCc12

BDBM79138

CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1

BDBM78888

CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)ccc1c23

BDBM32295

CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|

BDBM33137

CCN1C(=S)S\C(=C\C=C2/C=CC=CN2CC)C1=O |c:10,12|

BDBM39150

CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|

BDBM39180

CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:9|

BDBM39172

CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|

BDBM51890

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM55930

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM58638

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1

BDBM33176

CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC

BDBM32329

CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC

BDBM33090

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

BDBM78670

CCNC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:7,14|

BDBM33136

CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O

BDBM33146

CCOC(=O)C(=Cc1cccc(O)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|

BDBM33082

CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:5|

BDBM33083

CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O |c:5|

BDBM79168

CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1cc(OC)c(OC)c(OC)c1 |c:11|

BDBM79158

CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ncc(Cl)c(Cl)c1Cl |c:11|

BDBM33065

CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM34188

CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1

BDBM34183

CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

BDBM33099

CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(OC(C)=O)cc1 |t:7|

BDBM33174

CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(Br)cc1 |t:7|

BDBM33118

CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:7|

BDBM78620

CCOC(=O)N1CCc2c(C1)sc(NC(=S)NCC=C)c2C(=O)OCC

BDBM78519

CCOC(=O)c1c(C)c2C(CCCc2n1C)N=O

BDBM51918

CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1

BDBM79112

CCOC(=O)c1c(NC(=O)COc2ccccc2C#N)sc2c1CC(C)(C)NC2(C)C

BDBM33149

CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12

BDBM78535

CCOC(=O)c1cc(nc2n(C)nc(C)c12)-c1ccncc1

BDBM78616

CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc(OC)cc1

BDBM33177

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1OC

BDBM33191

CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl

BDBM78638

CCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1

BDBM79142

CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC

BDBM33190

CCOC(=O)c1sc(N)c(C(=O)Nc2ccccc2OC)c1C

BDBM33058

CCOc1cc(ccc1F)S(=O)(=O)Nc1ccccn1

BDBM33070

CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23

BDBM79029

CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)cc1

BDBM79234

CCOc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCCCN2CCOCC2)cc1

BDBM78817

CCOc1ccc(cc1)-c1csc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)n1

BDBM79113

CCOc1ccc(cc1)-c1nc(c(NC)o1)S(=O)(=O)c1ccccc1

BDBM33181

CCOc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1

BDBM79067

CCOc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N

BDBM79058

CCOc1ccc(cc1)N(C(CC)C(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N

BDBM50397586

CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCCC1)C(C)C

BDBM50397587

CCOc1ccc2c(cc(cc2n1)-c1cc2ccccc2nc1N1CCOCC1)C(C)C

BDBM76150

CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM33094

CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1

BDBM33103

CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl

BDBM76149

CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1

BDBM51939

CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM33164

CCOc1ccccc1CNc1ccc(O)cc1

BDBM78680

CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1

BDBM79012

CCOc1ccccc1NC(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1

BDBM34172

CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1

BDBM79258

CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCCCCN)nn1

BDBM79256

CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1

BDBM79352

CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1

BDBM79364

CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O

BDBM34168

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|

BDBM66022

CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1

BDBM79182

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1

BDBM76231

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1

BDBM79261

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCCCCN)nn1

BDBM79183

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1

BDBM50587033

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50587034

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|

BDBM50587037

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(ccc1C)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM50587038

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM50587035

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM50587036

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cccc(c1)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM50210070

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

BDBM50558853

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

BDBM50210069

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

BDBM53484

CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1

BDBM32299

CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO

BDBM50330251

CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1 |c:28,t:20|

BDBM31807

CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|

BDBM142748

CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(C(=O)NCCc5ccc(CC)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-14,;-8.65,-13.23,;-8.65,-11.69,;-9.98,-10.92,;-9.98,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-4.65,-4.76,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;4.69,9.87,;4.69,11.41,;6.02,12.18,;6.02,13.72,;7.36,14.49,;7.36,11.41,;7.36,9.87,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-7.31,-9.38,;-7.31,-10.92,)|

BDBM50313365

CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 |r|

BDBM50313374

CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|

BDBM50313364

CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|

BDBM50313366

CCc1ccc(Cc2cc(ccc2C)[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)cc1 |r|

BDBM79140

CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)C(=O)c1ccccc1

BDBM66950

CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM33195

CCc1cccc(CC)c1-n1c(n[nH]c1=S)-c1cccnc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;9.95,-1.57,;10.72,-2.9,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.83,1.96,;10.86,.82,;12.37,1.14,;12.85,2.6,;11.82,3.75,;10.31,3.43,)|

BDBM34170

CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O

BDBM47089

CCn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O

BDBM47113

CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccc(F)cc2)cc1=O

BDBM50604879

CCn1nc2cc(ccc2c1N1CCN(CC1)C(=O)C=C)-c1cccc(F)c1

BDBM39124

CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:3|

BDBM41991

CN(C)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:3|

BDBM71251

CN(C)C=Nc1nnc(Sc2cc(C)nc3ccccc23)s1

BDBM78954

CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1

BDBM79139

CN(C)CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc2cc3OCCOc3cc2s1

BDBM79136

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2cc(C)cc(C)c2s1

BDBM79137

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc(C)cc(C)c2s1

BDBM79150

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc3OCOc3cc2s1

BDBM79146

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1nc2cc3OCOc3cc2s1

BDBM79153

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2cc3OCCOc3cc2s1

BDBM79143

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2ccc(Br)cc2s1

BDBM76142

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2cc(C)cc(C)c2s1

BDBM66953

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1

BDBM79334

CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1

BDBM78825

CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12

BDBM51857

CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O

BDBM50604884

CN(C)CCCn1nc2cc(ccc2c1N1CCN(CC1)C(=O)C=C)-c1cccc(F)c1

BDBM45687

CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21

BDBM50604878

CN(C)CCSSCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O

BDBM21400

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|

BDBM21447

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|

BDBM67694

CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12

BDBM33061

CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1

BDBM34175

CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccc(Cl)cc1Cl

BDBM33048

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

BDBM33084

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

BDBM33066

CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|

BDBM79126

CN(CCNC(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12)Cc1ccccc1

BDBM33081

CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

BDBM79271

CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

BDBM78618

CN(Cc1ccccc1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1

BDBM54099

CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O |t:5|

BDBM67419

CN1CC2=Cc3ccccc3OC22Oc3ccccc3C=C2C1 |c:23,t:3|

BDBM34167

CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(Cl)c1Cl |c:4|

BDBM34169

CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](C2C1)c1cccc(Cl)c1 |c:4|

BDBM79052

CN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12

BDBM78762

CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O

BDBM32274

CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|

BDBM39142

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)ccc(C)c1Cl |c:8|

BDBM39140

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:8|

BDBM39138

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:8|

BDBM34194

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|

BDBM39139

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:8|

BDBM39167

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1 |c:8|

BDBM39144

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|

BDBM39141

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|

BDBM39176

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|

BDBM39143

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:8|

BDBM39181

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:8|

BDBM50330079

CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccncc1Cl |c:8|

BDBM50330072

CN1CCN(CC1)C1=CC(=O)N(C1=O)c1ccc(Cl)cc1 |t:8|

BDBM50330073

CN1CCN(CC1)c1cc(O)n(c1O)-c1ccc(Cl)c(Cl)c1

BDBM79314

CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1

BDBM65651

CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1

BDBM29643

CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31

BDBM29644

CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31

BDBM33143

CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:12.13,1.0|

BDBM33064

CNC(=O)c1c(N)sc2CCCCCc12

BDBM79152

CNC(=O)c1ccsc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1

BDBM33111

CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl

BDBM58623

CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1

BDBM78742

CNCc1cc(Br)c(OCC(=O)Nc2ccccc2OC)c(OC)c1

BDBM33152

CNCc1ccccc1Sc1ccc(O)c(O)c1

BDBM33069

CNc1ccc(Br)cc(C(=O)\C=C\c2cc(OC)ccc2OC)c1=O

BDBM33140

CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OC)cc2)c1=O

BDBM33067

CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2)c1=O

BDBM33068

CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2OC)c1=O

BDBM33156

COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O

BDBM33040

COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21

BDBM34171

COC(=O)Cn1c2CCCCc2c2cc(C)ccc12

BDBM51824

COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1

BDBM33093

COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23

BDBM79342

COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(SC)cc1

BDBM78913

COC(=O)c1ccc(CN2C(=O)C(=NNC(N)=S)c3ccccc23)o1 |w:13.13|

BDBM50376902

COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2|

BDBM39122

COCC=Nc1c(Cl)c(O)n(c1O)-c1ccc(Cl)c(Cl)c1 |w:4.4|

BDBM50604881

COCCCn1nc2cc(ccc2c1N1CCN(CC1)C(=O)C=C)-c1cccc(F)c1

BDBM78849

COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|

BDBM78899

COCCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:8.7|

BDBM79017

COCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F

BDBM34186

COCCn1cnc2cc(C)c(C)cc12

BDBM78639

COc1cc(C=NNC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC

BDBM46318

COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC |w:6.6|

BDBM33169

COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC

BDBM33079

COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C

BDBM33189

COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O

BDBM33049

COc1cc(OC)cc(c1)\N=c1\ssnc1Cl

BDBM32312

COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

BDBM58573

COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1

BDBM54716

COc1cc(\N=C2/SSNC2Cl)c(OC)cc1Cl

BDBM33086

COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl

BDBM78759

COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12

BDBM33053

COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23

BDBM33051

COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl

BDBM33038

COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23

BDBM78882

COc1cc2\C(=N\NC(N)=S)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:20|

BDBM78599

COc1cc2nc(NCCCN3CCN(C)CC3)n3nc(nc3c2cc1OC)-c1ccccc1

BDBM79016

COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC

BDBM50073568

COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1

BDBM79141

COc1cc2nc(sc2cc1OC)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM78623

COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)c(OC)c1

BDBM78633

COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OC

BDBM32266

COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC

BDBM79272

COc1ccc(CN(C)C(=O)Cc2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)cc1OC

BDBM76133

COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|

BDBM50313369

COc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC3(COC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|

BDBM78549

COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1

BDBM50604889

COc1ccc(Cn2nc3cc(ccc3c2N2CCN(CC2)C(=O)C=C)-c2cccc(F)c2)cc1

BDBM79269

COc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCC2)cc1

BDBM79278

COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1

BDBM78738

COc1ccc(OC)c(C=CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 |w:9.8|

BDBM33088

COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1ccc(C)cc1 |(9.75,-4.65,;9.75,-3.11,;8.41,-2.34,;7.08,-3.11,;5.75,-2.34,;5.75,-.8,;4.41,-.03,;3.08,-.8,;7.08,-.03,;8.41,-.8,;7.08,1.51,;8.33,2.41,;7.85,3.88,;6.31,3.88,;5.84,2.41,;4.37,1.94,;9.79,1.94,;10.11,.43,;11.58,-.04,;12.72,.99,;14.19,.51,;12.4,2.49,;10.94,2.97,)|

BDBM64465

COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM58678

COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1

BDBM33125

COc1ccc(\C=C(/N2C=CC=CC2=C(C#N)C#N)C(=O)c2cccs2)cc1 |c:9,11|

BDBM78578

COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br

BDBM33141

COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1

BDBM43211

COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N

BDBM33100

COc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23

BDBM34174

COc1ccc(cc1)-c1nnc2sc(nn12)-c1c(OC)cccc1OC

BDBM78601

COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccccc1

BDBM79376

COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1

BDBM30725

COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12

BDBM54714

COc1ccc(cc1)-n1c(O)c(Cl)c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O

BDBM33182

COc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1

BDBM78990

COc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O

BDBM48265

COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O

BDBM79132

COc1ccc(cc1)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F)N(C)C

BDBM79162

COc1ccc(cc1)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)N1CCCC1

BDBM79054

COc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM33165

COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|

BDBM33052

COc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:14.15|

BDBM33151

COc1ccc(cc1)N1C(=S)NC(=Cc2cccs2)C1=O |w:13.14|

BDBM39159

COc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|

BDBM78711

COc1ccc(cc1Br)C(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1

BDBM34180

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

BDBM31067

COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F

BDBM79078

COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM34164

COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccc(F)cc1

BDBM34176

COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1

BDBM31997

COc1ccc2c(C)n[nH]c3cccc1c23

BDBM33095

COc1ccc2c(C)nn(C)c3cccc1c23

BDBM33076

COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM51902

COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|

BDBM66945

COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM78619

COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC

BDBM50511124

COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1

BDBM50604888

COc1cccc(Cn2nc3cc(ccc3c2N2CCNCC2)-c2cccc(F)c2)c1

BDBM78653

COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1

BDBM34178

COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1

BDBM39118

COc1cccc(c1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F

BDBM39170

COc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:13|

BDBM39162

COc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|

BDBM33147

COc1cccc2C(=O)C(C)=CC(=O)c12 |c:10|

BDBM29615

COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|

BDBM76143

COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM33197

COc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|

BDBM33166

COc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccc(F)cc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;11.04,2.07,;12.28,1.17,;11.81,-.3,;10.27,-.3,;13.75,1.64,;14.07,3.15,;15.53,3.63,;16.68,2.6,;18.14,3.07,;16.36,1.09,;14.89,.61,)|

BDBM34191

COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1

BDBM39157

COc1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|

BDBM78521

COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12

BDBM42602

COc1ccccc1NC(=O)CN1CCC(CC1)n1nnc2cc(F)ccc12

BDBM79247

COc1ccccc1NC(=O)COc1ccc(cc1OC)C(=O)NCc1ccccc1

BDBM78525

COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1

BDBM78720

COc1ccccc1NC(=O)c1c(cnn1C)N=Cc1ccccc1O |w:17.18|

BDBM79034

COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1

BDBM33196

COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|

BDBM79010

COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12

BDBM79371

CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NCCCN1CCOCC1

BDBM66253

CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1

BDBM79237

CSCCC(NC(=O)COc1ccccc1)C(=O)N1CCC(CC1)C(N)=O

BDBM79262

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1

BDBM79252

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1

BDBM79301

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1

BDBM76233

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1

BDBM79191

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCO)nn1

BDBM79192

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCO)nn1

BDBM50604877

CSc1ccc(cc1)C(Nc1ccccn1)c1c(C)[nH]c2ccccc12

BDBM32262

CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1

BDBM50316672

C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:1.0,wD:30.32,(19.56,-.32,;20.34,-1.65,;21.88,-1.63,;22.64,-.3,;24.18,-.29,;24.96,-1.61,;24.94,1.05,;24.16,2.37,;22.62,2.36,;24.91,3.71,;24.13,5.04,;26.46,3.73,;27.24,2.4,;28.76,2.41,;29.52,3.75,;29.54,1.1,;28.79,-.25,;29.56,-1.58,;27.25,-.26,;26.48,1.07,;31.08,1.1,;31.86,-.23,;31.1,-1.56,;33.4,-.21,;34.16,1.14,;35.7,1.15,;36.49,-.17,;35.73,-1.51,;38.03,-.15,;38.81,-1.47,;40.35,-1.45,;41.11,-.11,;41.14,-2.78,;40.38,-4.11,;41.17,-5.44,;42.71,-5.42,;43.46,-4.07,;42.68,-2.75,;36.45,2.5,;37.99,2.53,;35.65,3.83,;36.4,5.18,;34.12,3.8,;33.37,2.47,;31.83,2.44,;31.05,3.76,;19.58,-2.99,;18.04,-3,;17.27,-4.33,;18.05,-5.67,;19.59,-5.66,;20.36,-4.32,)|

BDBM79351

C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(nn1)[C@@H](N)CCCCN

BDBM78583

C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC1=O)C(N)=O)[N+]([O-])=O

BDBM76245

C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1

BDBM39147

C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|

BDBM39177

C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|

BDBM39155

C[C@@H]1CN([C@@H](C)CN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|

BDBM50241582

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50316671

C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wU:30.32,wD:1.0,(20.84,-14.32,;21.62,-15.64,;23.16,-15.63,;23.92,-14.29,;25.46,-14.28,;26.24,-15.61,;26.22,-12.94,;25.44,-11.62,;23.9,-11.64,;26.19,-10.28,;25.41,-8.96,;27.74,-10.27,;28.52,-11.6,;30.05,-11.59,;30.8,-10.25,;30.82,-12.9,;30.06,-14.24,;30.84,-15.57,;28.53,-14.25,;27.76,-12.93,;32.36,-12.89,;33.14,-14.22,;32.38,-15.56,;34.68,-14.21,;35.44,-12.86,;36.98,-12.84,;37.77,-14.16,;37.01,-15.51,;39.31,-14.14,;40.09,-15.47,;41.63,-15.45,;42.39,-14.1,;42.42,-16.77,;41.66,-18.11,;42.45,-19.43,;43.99,-19.42,;44.74,-18.06,;43.95,-16.74,;37.73,-11.49,;39.27,-11.47,;36.94,-10.16,;37.68,-8.82,;35.4,-10.19,;34.65,-11.53,;33.11,-11.55,;32.33,-10.23,;20.86,-16.98,;19.32,-16.99,;18.56,-18.33,;19.33,-19.67,;20.87,-19.66,;21.64,-18.32,)|

BDBM79187

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(C)nn1

BDBM79259

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(C)nn1

BDBM79266

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(C)nn1

BDBM39148

C[C@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|

BDBM79404

C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2OC(=O)[C@H](N)CCCCN

BDBM33047

C\C(=C/c1ccco1)C1Nc2cccc3cccc(N1)c23

BDBM78879

Cc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1

BDBM142749

Cc1c(-c2c(C)c(=O)c3c(C(=O)Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;2.02,5.25,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-4.65,-4.76,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|

BDBM142755

Cc1c(-c2c(C)c(=O)c3c(CCCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;6.02,9.1,;7.36,9.87,;8.69,9.1,;8.69,7.56,;7.36,6.79,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-9.98,-6.3,;-11.32,-7.07,;-11.32,-8.61,;-9.98,-9.38,;-8.65,-8.61,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|

BDBM142753

Cc1c(-c2c(C)c(=O)c3c(CCc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(CCc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-7.31,-6.3,;-8.65,-7.07,;-8.65,-8.61,;-7.31,-9.38,;-5.98,-8.61,;-5.98,-7.07,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|

BDBM142757

Cc1c(-c2c(C)c(=O)c3c(Cc4ccc(Cl)cc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;8.69,7.56,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-11.32,-7.07,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|

BDBM142756

Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccccc3)c2c1=O |(-.65,-2.45,;-1.98,-1.68,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;6.02,7.56,;7.36,6.79,;7.36,5.25,;6.02,4.48,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-4.65,-.14,;-5.98,.63,;-7.31,-.14,;-8.65,.63,;-7.31,-1.68,;-8.65,-2.45,;-5.98,-2.45,;-5.98,-3.99,;-7.31,-4.76,;-8.65,-3.99,;-9.98,-4.76,;-9.98,-6.3,;-8.65,-7.07,;-7.31,-6.3,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,)|

BDBM33062

Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |w:3.2|

BDBM33074

Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C |w:3.2|

BDBM78673

Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C

BDBM78797

Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(-c2ccccc2)n1C

BDBM33175

Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|

BDBM333146

Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C

BDBM33184

Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|

BDBM78669

Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|

BDBM34193

Cc1cc(C)c2c3n(C)c(=O)n(C)c(=O)c3c(-c3ccccc3)n2n1

BDBM64762

Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)C2CC2)c1

BDBM32303

Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1

BDBM55880

Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1

BDBM33089

Cc1cc(N)ccc1N1CCCC1

BDBM78831

Cc1cc(SCC(=O)NC(=O)c2cccn2C)nc2ccccc12

BDBM78600

Cc1cc([nH]n1)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl |w:16.17|

BDBM50313357

Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(O)=O

BDBM79207

Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C

BDBM30741

Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1

BDBM32273

Cc1cc2-c3ccc(C)n3CCn2c1

BDBM50313353

Cc1cc2[nH]ncc2cc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1

BDBM31811

Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|

BDBM31804

Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|

BDBM31805

Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|

BDBM31803

Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|

BDBM33057

Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12

BDBM78646

Cc1ccc(C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1

BDBM33139

Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1

BDBM79005

Cc1ccc(C)c(c1)S(=O)(=O)c1c[nH]c(=S)[nH]c1=O

BDBM33063

Cc1ccc(C)n1-c1ccc(cc1)N1CCOCC1

BDBM50330249

Cc1ccc(CC=c2c(O)c(O)cc3c(O)c(-c4c(O)c5cc(O)c(O)c(=CCc6ccc(C)cc6)c5c(O)c4=C)c(=C)c(O)c23)cc1 |w:27.27,6.5,(2.55,-7.81,;2.53,-9.35,;3.86,-10.13,;3.85,-11.67,;2.51,-12.42,;2.49,-13.96,;1.15,-14.72,;1.14,-16.26,;2.47,-17.05,;3.81,-16.3,;2.46,-18.6,;3.78,-19.38,;1.11,-19.35,;-.21,-18.57,;-1.54,-19.33,;-1.54,-20.87,;-2.87,-18.56,;-4.2,-19.32,;-5.55,-18.54,;-5.55,-17.01,;-6.88,-19.33,;-8.22,-18.55,;-9.56,-19.33,;-10.89,-18.56,;-9.56,-20.87,;-10.89,-21.64,;-8.22,-21.64,;-8.22,-23.18,;-9.56,-23.95,;-9.56,-25.49,;-10.9,-26.25,;-10.9,-27.79,;-9.57,-28.56,;-9.57,-30.1,;-8.23,-27.79,;-8.23,-26.25,;-6.88,-20.87,;-5.54,-21.64,;-5.54,-23.18,;-4.2,-20.87,;-2.87,-21.64,;-2.87,-17.02,;-4.21,-16.25,;-1.53,-16.25,;-1.53,-14.71,;-.2,-17.03,;1.18,-11.65,;1.19,-10.11,)|

BDBM142754

Cc1ccc(CCc2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(CCc5ccc(C)cc5)c(O)c(O)cc4c2=O)c3=O)cc1 |(-7.31,-10.92,;-7.31,-9.38,;-8.65,-8.61,;-8.65,-7.07,;-7.31,-6.3,;-7.31,-4.76,;-5.98,-3.99,;-5.98,-2.45,;-7.31,-1.68,;-8.65,-2.45,;-7.31,-.14,;-8.65,.63,;-5.98,.63,;-4.65,-.14,;-4.65,-1.68,;-3.31,-2.45,;-3.31,-3.99,;-1.98,-1.68,;-.65,-2.45,;-1.98,-.14,;-.65,.63,;-.65,2.17,;-1.98,2.94,;.69,2.94,;.69,4.48,;2.02,2.17,;3.36,2.94,;3.36,4.48,;4.69,5.25,;4.69,6.79,;3.35,7.56,;3.35,9.1,;4.69,9.87,;4.69,11.41,;6.02,9.1,;6.02,7.56,;4.69,2.17,;6.02,2.94,;4.69,.63,;6.02,-.14,;3.36,-.14,;2.02,.63,;.69,-.2,;.69,-1.74,;-3.31,.68,;-3.31,2.22,;-5.98,-7.07,;-5.98,-8.61,)|

BDBM79047

Cc1ccc(CN2CCC(CNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)CC2)cc1 |t:21|

BDBM54990

Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCCN4CCCCCC4)nn3c2C)cc1

BDBM39135

Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(Cl)C2=O)c1Cl |t:11|

BDBM79051

Cc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl

BDBM78829

Cc1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1

BDBM33127

Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|

BDBM33160

Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 |c:8|

BDBM64766

Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1

BDBM33132

Cc1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1

BDBM33148

Cc1ccc(\C=C2\NC(=O)N(Cc3ccccc3)C2=O)o1

BDBM33116

Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1

BDBM33150

Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1

BDBM33135

Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C

BDBM33046

Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|

BDBM32319

Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|

BDBM32298

Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1

BDBM33133

Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1

BDBM78562

Cc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(C)cc1

BDBM78917

Cc1ccc(cc1)C(=O)NNC(=O)c1nn(ccc1=O)-c1ccc(F)cc1

BDBM32296

Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1

BDBM79071

Cc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1

BDBM79092

Cc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79062

Cc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N

BDBM39185

Cc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(C)cc1 |w:7.7|

BDBM78878

Cc1ccc(cc1)S(=O)(=O)n1cc(C=O)c2ccccc12

BDBM78820

Cc1ccc(cc1Br)C(=O)NCCN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12 |t:37|

BDBM33060

Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N

BDBM33041

Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1

BDBM33039

Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1

BDBM33073

Cc1ccc(o1)-c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1

BDBM33037

Cc1ccc(o1)-c1cc(-c2ccc3OCOc3c2)c(C#N)c(N)n1

BDBM33105

Cc1ccc(o1)-c1cc(C(=O)Nc2nccs2)c2ccccc2n1

BDBM33043

Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccc(F)cc1

BDBM33199

Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C

BDBM33193

Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1Cc1ccccc1

BDBM79065

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)C(=O)NC1CCCC1

BDBM78749

Cc1ccc2cc3CCN(c3nc2c1)c1ccccc1

BDBM65465

Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1

BDBM79082

Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O

BDBM72267

Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|

BDBM33113

Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|

BDBM33123

Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 |w:15.14|

BDBM29658

Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N

BDBM39169

Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCO)CC2)C1=O |t:12|

BDBM39168

Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:12|

BDBM33112

Cc1cccc(c1)N1C(NC(=O)C(C#N)C1=S)c1cccs1

BDBM50330069

Cc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|

BDBM78806

Cc1cccc(n1)-n1cnc(c1)C(=O)NNC(=S)Nc1ccccc1

BDBM78964

Cc1cccc2N(C3OC(CO)C(O)C(O)C3O)C(=O)C(=NNC(N)=S)c12 |w:21.22|

BDBM78743

Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1

BDBM32098

Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1

BDBM78626

Cc1nc(N)sc1C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|

BDBM78805

Cc1nc(N)sc1C(=O)NN=Cc1cccnc1

BDBM50331082

Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Br)CC1

BDBM32300

Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1

BDBM79049

Cc1nn(C(=O)CCCC(=O)NCc2ccccc2C)c2ccccc12

BDBM34165

Cc1nn(C)c(C)c1NC(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1F

BDBM50078160

Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-2.81,-12.36,;-3.79,-13.11,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-6.15,-13.92,;-7.69,-13.93,;-8.44,-15.28,;-9.98,-15.29,;-10.74,-16.63,;-12.28,-16.64,;-13.06,-15.32,;-12.3,-13.98,;-10.76,-13.96,;-14.6,-15.33,;-15.37,-16.67,;-16.91,-16.68,;-17.68,-15.35,;-16.92,-14.01,;-15.38,-14,;-19.23,-15.36,;-19.85,-14.3,;-19.83,-16.43,;-20.46,-15.37,;-5.26,-12.68,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,)|

BDBM64345

Cc1nn(CC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c(=O)c2cc(nn12)-c1ccccc1

BDBM33180

Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1

BDBM33188

Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1

BDBM34185

Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1

BDBM74657

Cc1onc(c1C(=O)Nc1cccc2nsnc12)-c1ccccc1

BDBM33059

Cc1onc(c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)-c1ccccc1

BDBM78839

Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51860

Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM51866

Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78845

Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM79177

Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC

BDBM78848

Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78837

Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)C(C)CC

BDBM51861

Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51858

Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM78937

Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)C(N)CC(C)C)n1cc(nn1)C(N)COC(=O)C(F)(F)F

BDBM39133

ClC1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:1|

BDBM39131

ClC1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|

BDBM39123

ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39132

ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:1|

BDBM39187

ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|

BDBM39137

ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|

BDBM39134

ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|

BDBM39136

ClC1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:1|

BDBM39186

ClC1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:1|

BDBM50330081

ClC1=C(N2CCCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39119

ClC1=C(N2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39161

ClC1=C(N2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39154

ClC1=C(N2CCN(CC2)c2ccccc2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39153

ClC1=C(N2CCN(CC2)c2ncccn2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39165

ClC1=C(N2CCN(CCNCc3ccccn3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39149

ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39151

ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39152

ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39127

ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|

BDBM39120

ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|

BDBM39179

ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|

BDBM39130

ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|

BDBM39128

ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|

BDBM39129

ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1Cl |c:1|

BDBM43864

Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34|

BDBM79035

Clc1ccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)cc1

BDBM33142

Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6|

BDBM33168

Clc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1

BDBM76238

Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1

BDBM33131

Clc1ccc2c(ccnc2c1)N=NCc1ccccc1Br |w:11.12|

BDBM79040

Clc1cccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)c1

BDBM34173

Clc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncccn1

BDBM78550

Clc1cccc(c1)N1CCN(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1

BDBM32287

Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1

BDBM33144

Clc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|

BDBM78824

Clc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2s1

BDBM32275

Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1

BDBM33178

Clc1nss\c1=N/c1ccc(Br)cc1

BDBM33085

Clc1nss\c1=N\c1ccc(cc1)C#N

BDBM33187

Clc1nss\c1=N\c1cccc(c1)C#N

BDBM33114

Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(N)n(Cc2ccccc2)c1=O

BDBM78560

Cn1c2ncn(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O

BDBM78556

Cn1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O

BDBM79370

Cn1cncc1C#Cc1c(sc2ccccc12)-c1ccc(cc1)S(C)(=O)=O

BDBM79175

FC(F)(F)C1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1

BDBM78945

FC(F)(F)c1cc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)cc(c1)C(F)(F)F

BDBM39184

FC(F)(F)c1ccc(cc1)N1C(=O)C(Cl)=C(Cl)C1=O |t:15|

BDBM33075

FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1

BDBM50330070

FC(F)(F)c1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:18|

BDBM33117

Fc1ccc(C=C2CCCC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|

BDBM78699

Fc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1

BDBM79041

Fc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl

BDBM72283

Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F

BDBM78808

Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1

BDBM33171

Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23

BDBM78919

Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1

BDBM78920

Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F

BDBM78918

Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccccc1Cl

BDBM39145

Fc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|

BDBM79101

Fc1ccc(cc1)N1CCN(CCCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1

BDBM67677

Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 |t:25|

BDBM39125

Fc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |w:7.7|

BDBM79001

Fc1cccc(CN2C(=O)c3cccc4cccc2c34)c1

BDBM78782

Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1

BDBM50604887

Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccc(Cl)cc3)nc2c1

BDBM50604895

Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccc(cc3)C#N)nc2c1

BDBM50604886

Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3cccc(Cl)c3)nc2c1

BDBM50604894

Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3cccc(c3)C#N)nc2c1

BDBM50604885

Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1

BDBM64749

Fc1cccc(c1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S

BDBM78781

Fc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O

BDBM50086503

N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|

BDBM33054

N#Cc1cc(nn1-c1ccccc1)-c1ccccc1

BDBM32278

N(c1ccccc1)c1cccc(Nc2ccccc2)n1

BDBM34179

NC(=O)N1c2ccccc2CC(=O)c2ccccc12

BDBM79276

NC(=O)NC(CC(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1

BDBM33045

NC(=O)c1c(N)sc2CCCCCc12

BDBM79228

NC(=O)c1ccc(Cn2c(C(=O)c3cc(Cl)c(N)c(Cl)c3)c3ccccc3[n+]2[O-])cc1

BDBM78627

NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12 |w:4.3|

BDBM78733

NC(=S)NN=C1C(=O)N(CCCl)c2ccccc12 |w:4.3|

BDBM58125

NC(N)=c1ccc(=C\C=C2/C=CC(=CC2=O)C(N)=N)cc1 |c:10,12,(5.33,15.58,;4,14.81,;2.67,15.58,;4,13.27,;5.33,12.5,;5.33,10.96,;4,10.19,;4,8.65,;2.67,7.88,;2.67,6.34,;4,5.57,;4,4.03,;2.67,3.26,;1.33,4.03,;1.33,5.57,;,6.34,;2.67,1.72,;4,.95,;1.33,.95,;2.67,10.96,;2.67,12.5,)|

BDBM64773

NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,10.11,23.23|

BDBM79401

NC1=NC[C@@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM78891

NC1=NC[C@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM79185

NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1

BDBM79348

NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(CN)nn1

BDBM79363

NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O)n1cc(nn1)[C@@H](N)CC(N)=O

BDBM79353

NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CN)nn1

BDBM79198

NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCO)nn1

BDBM79200

NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(CCO)nn1

BDBM79350

NCCCC[C@H](N)c1cn(nn1)[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1

BDBM79403

NCCCNCCCCNCCCN

BDBM78959

NCCNc1ccc(cc1[N+]([O-])=O)C(=O)N1c2ccccc2Sc2ccccc12

BDBM79014

NCCc1nc2ccc(Cc3ccc4nc(CCN)[nH]c4c3)cc2[nH]1

BDBM78860

NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1

BDBM50313335

NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1

BDBM78703

N[C@@H](CO)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

BDBM79171

Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2cc(ccc12)C(F)(F)F

BDBM79164

Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2ccccc12

BDBM33056

Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1

BDBM32311

Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1

BDBM32310

Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1

BDBM39126

Nc1cc(nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)-c1ccccc1

BDBM34196

Nc1ccc(C2CCCc3nonc23)c2nonc12

BDBM50511132

Nc1ccc(SCCc2ccccc2)cc1C(O)=O

BDBM33109

Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23

BDBM34166

Nc1ccc(cc1N1CCCCC1)N1CCCCC1

BDBM53218

Nc1ccc2nc([nH]c2c1)-c1cccc(n1)-c1nc2ccc(N)cc2[nH]1

BDBM32047

Nc1ccc2ncccc2c1N

BDBM33179

Nc1ccccc1\N=c1\ssnc1Cl

BDBM34163

Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N

BDBM78555

O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

BDBM78606

O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12

BDBM78780

O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1

BDBM79384

O=C(COc1ccc(cc1)C#N)NNC(=S)NC(=O)C1CC1

BDBM78557

O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1

BDBM78869

O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM33159

O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3|

BDBM31713

O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM79050

O=C(NCCCN1CCN(CC1)c1ccccc1)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12

BDBM66590

O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1

BDBM33087

O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM33050

O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM31075

O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM31704

O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1

BDBM33155

O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1

BDBM79241

O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 |t:10,24|

BDBM33055

O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM33157

O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM33173

O=C1N(C(=S)NC1=Cc1ccco1)c1ccccc1 |w:7.8|

BDBM78871

O=C1N(Cc2cccnc2)C(=O)c2cccc3cccc1c23

BDBM63221

O=C1N=c2ccccc2=C1NNC(=S)NCC1CCCO1 |c:9,t:2|

BDBM32320

O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23

BDBM32050

O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23

BDBM32289

O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12

BDBM34182

O=c1[nH]c(Nc2ccccc2)cc2ccccc12

BDBM32331

O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1

BDBM50313363

OC(=O)CCNCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1

BDBM53290

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O

BDBM50013867

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O

BDBM50013865

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O

BDBM50013862

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O

BDBM50013863

OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O

BDBM50013864

OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O

BDBM50013839

OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O

BDBM50511127

OC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511141

OC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511131

OC(=O)c1cc(NCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511121

OC(=O)c1cc(OCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511140

OC(=O)c1cc(SCCC(=O)Nc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511130

OC(=O)c1cc(SCCCC(=O)Nc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511133

OC(=O)c1cc(SCCc2ccccc2)ccc1NC(=O)c1ccccc1

BDBM50511145

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1

BDBM50511122

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCC(CC1)c1ccccc1

BDBM50511137

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(CC1)c1ccccc1

BDBM50511144

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1

BDBM50511146

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccccc2)CC1

BDBM50511134

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1

BDBM50511136

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccccc1

BDBM50511125

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1

BDBM50511143

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(nc1)-c1ccccc1

BDBM50511135

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1

BDBM50511128

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM50511142

OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1

BDBM50511129

OC(=O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1

BDBM78604

OC(=O)c1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3ccsc3c2=O)cc1

BDBM50604893

OC(=O)c1ccc(Cn2nc3cc(ccc3c2N2CCN(CC2)C(=O)C=C)-c2cccc(F)c2)cc1

BDBM33185

OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|

BDBM32001

OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23

BDBM50604892

OC(=O)c1cccc(Cn2nc3cc(ccc3c2N2CCN(CC2)C(=O)C=C)-c2cccc(F)c2)c1

BDBM50016583

OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1

BDBM78643

OC(COCc1ccc(Cl)cc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78696

OC(COCc1ccc2OCOc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM57475

OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78214

OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78700

OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM33077

OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM33096

OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

BDBM34190

OCCCc1nc2N=C(CC(c3cccs3)n2n1)c1ccccc1 |c:7|

BDBM50604882

OCCCn1nc2cc(ccc2c1N1CCN(CC1)C(=O)C=C)-c1cccc(F)c1

BDBM39156

OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:10|

BDBM39178

OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:10|

BDBM50130273

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

BDBM78433

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM33071

OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

BDBM33098

OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

BDBM39146

OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:13|

BDBM39174

OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:13|

BDBM39182

OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:13|

BDBM78972

Oc1c(Cc2cnc[nH]2)[nH]c(=S)n1-c1ccccc1

BDBM39121

Oc1c(Cl)c(N=Cc2ccccc2)c(O)n1-c1ccc(Cl)c(Cl)c1 |w:5.4|

BDBM50330080

Oc1c(Cl)c(NCC=O)c(O)n1-c1ccc(Cl)c(Cl)c1

BDBM33091

Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O |w:10.11,24.26|

BDBM33162

Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|

BDBM32313

Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl

BDBM79335

Oc1cc(Nc2ccncc2)cc2cccnc12

BDBM79333

Oc1cc(cc2cccnc12)-c1ccc(cc1)C(=O)N1CCNCC1

BDBM50330255

Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O |w:37.41,17.17,(4.3,-20.93,;5.64,-21.7,;6.97,-20.92,;8.31,-21.7,;9.65,-20.92,;9.64,-19.38,;10.99,-21.69,;12.32,-20.93,;13.66,-21.7,;13.65,-23.24,;14.98,-20.94,;16.3,-21.72,;17.65,-20.97,;18.98,-21.75,;17.67,-19.42,;19.01,-18.67,;16.33,-18.63,;16.35,-17.09,;17.69,-16.33,;17.7,-14.79,;19.04,-14.04,;20.36,-14.82,;21.7,-14.07,;21.71,-12.52,;20.38,-11.74,;19.04,-12.51,;14.99,-19.4,;13.66,-18.62,;13.67,-17.08,;12.32,-19.39,;10.99,-18.62,;10.99,-23.24,;12.33,-24.01,;9.65,-24.01,;9.65,-25.55,;8.32,-23.24,;6.97,-24.01,;6.97,-25.55,;5.63,-26.32,;5.63,-27.86,;4.3,-28.63,;2.97,-27.85,;1.63,-28.62,;1.63,-30.16,;2.97,-30.93,;4.3,-30.16,;5.64,-23.24,;4.3,-24.01,)|

BDBM50330254

Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O |w:36.40,17.17,(22.56,-1.64,;23.9,-2.4,;25.23,-1.62,;26.57,-2.4,;27.9,-1.62,;27.9,-.08,;29.25,-2.4,;30.58,-1.63,;31.91,-2.41,;31.91,-3.95,;33.23,-1.65,;34.56,-2.43,;35.91,-1.68,;37.23,-2.46,;35.92,-.13,;37.26,.63,;34.59,.66,;34.6,2.2,;35.94,2.96,;35.95,4.5,;37.3,5.25,;37.31,6.79,;35.98,7.57,;34.64,6.81,;34.63,5.27,;33.25,-.1,;31.92,.67,;31.92,2.21,;30.58,-.1,;29.24,.67,;29.25,-3.95,;30.58,-4.72,;27.91,-4.72,;27.91,-6.26,;26.57,-3.95,;25.23,-4.72,;25.23,-6.26,;23.89,-7.03,;23.89,-8.57,;22.55,-9.33,;22.55,-10.87,;23.88,-11.64,;25.22,-10.86,;25.22,-9.33,;23.9,-3.95,;22.56,-4.72,)|

BDBM50330256

Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O |w:36.40,17.17,(13.56,-4.78,;14.89,-5.55,;16.23,-4.77,;17.57,-5.55,;18.9,-4.77,;18.89,-3.23,;20.24,-5.55,;21.58,-4.78,;22.91,-5.55,;22.9,-7.09,;24.23,-4.8,;25.55,-5.58,;26.9,-4.82,;28.22,-5.61,;26.91,-3.28,;28.26,-2.52,;25.58,-2.49,;25.6,-.95,;26.93,-.19,;28.26,-.98,;29.59,-.22,;29.61,1.32,;30.95,2.08,;28.27,2.1,;26.94,1.34,;24.24,-3.25,;22.91,-2.48,;22.92,-.94,;21.57,-3.24,;20.24,-2.47,;20.24,-7.09,;21.58,-7.86,;18.9,-7.86,;18.9,-9.4,;17.57,-7.1,;16.23,-7.87,;16.22,-9.4,;14.89,-10.17,;13.56,-9.4,;12.23,-10.16,;12.23,-11.7,;10.89,-12.47,;13.57,-12.48,;14.9,-11.7,;14.89,-7.1,;13.56,-7.87,)|

BDBM50330250

Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)|

BDBM50604891

Oc1ccc(Cn2nc3cc(ccc3c2N2CCN(CC2)C(=O)C=C)-c2cccc(F)c2)cc1

BDBM52609

Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|

BDBM33154

Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1

BDBM19441

Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

BDBM33130

Oc1ccc(cc1)N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O

BDBM33110

Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|

BDBM50604890

Oc1cccc(Cn2nc3cc(ccc3c2N2CCN(CC2)C(=O)C=C)-c2cccc(F)c2)c1

BDBM33115

Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1

BDBM33101

S=c1[nH]cc(-c2ccccc2)n1-c1ccccc1

BDBM79358

[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@@H](-[#6])-[#6]-[#6]

BDBM79349

[#6]-[#6]-[#6@@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#7])nn1

BDBM76234

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM76235

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM79184

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6@@H](-[#6])-[#6]-[#6])-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1

BDBM79255

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM75699

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM79188

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM79354

[#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@H](-[#6])-[#6]-[#6]

BDBM79355

[#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#6@@H](-[#6])-[#8])-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]

BDBM79201

[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(-[#6]-[#6@@H](-[#6])-[#6]-[#6])nn1

BDBM79270

[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1-[#7+](-[#8-])=O

BDBM78736

[#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:6.6|

BDBM33163

[#6]-c1nc2scc(-c3ccccc3)c2c(=O)n1\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:22,26|

BDBM55517

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|

BDBM46560

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|

BDBM79000

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)c(-[#8]-[#6]-c2ccccc2)c1 |w:4.3|

BDBM65630

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|

BDBM34187

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccccc1O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|

BDBM34184

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cn1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|

BDBM31691

[H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1

BDBM30709

[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|

BDBM79337

[H][C@@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6ccc7Oc8c(OC)cc(CCN1C)c2c8Oc7c56)ccc4OC)cc3

BDBM50558851

[H][C@]1(CC(=O)NCCCC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]2(C)CCC\C=C\CCC[C@](C)(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N2)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,t:48|

BDBM50558857

[H][C@]1(CC(=O)NCCCC[C@]([H])(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,t:79|

BDBM50558852

[H][C@]1(CC(=O)NCCCC[C@]([H])(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1([H])CCCCNC(=O)C[C@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM50558854

[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)C=C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,t:10|

BDBM50558855

[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)C=C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,t:10|

BDBM50558856

[H][C@]1(NC(=O)[C@](C)(CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(C)=O)C(=O)NC(CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1)[C@@H](C)CC |r,t:10,84|

BDBM33170

[O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)(=O)C=C

BDBM33167

[O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)C=C

BDBM33129

[O-][N+](=O)c1cc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)ccc1N1CCCC1

BDBM51885

[O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|

BDBM70906

[O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2cccnc2)cc1

BDBM78757

[O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2ccncc2)cc1